1 | #pragma rtGlobals=1 // Use modern global access method. |
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2 | #pragma version=1.0 |
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3 | #pragma IgorVersion=6.1 |
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4 | #pragma ModuleName=SASCALC |
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5 | |
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6 | // SASCALC.ipf |
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7 | // |
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8 | // 04 OCT 2006 SRK |
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9 | // 30 OCT 2006 SRK - corrected beamDiameter size in attenuator calculation (Bh vs Bm) |
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10 | // 11 DEC 2006 SRK - added 2.5 cm A1 option for NG3@7guide config |
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11 | // 09 MAR 2007 SRK - now appends text of each frozen configuration for printing |
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12 | // - colorized frozen traces so that they aren't all red (unfrozen is black) |
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13 | // 19 MAR 2007 SRK - corrections added for projected BS diameter at anode plane |
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14 | // 11 APR 2007 SRK - default aperture offset of 5 cm added to match VAX implementation |
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15 | // nn AUG 2007 SRK - added defulat sample aperture size |
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16 | // added option of lenses, approximated beamDiam=sourceDiam, BSdiam=1" |
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17 | // Lens flux, trans is not corrected for lens/prism transmission |
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18 | // Lenses can still be inserted in incorrect cases, and are not automatically taken out |
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19 | // 27 JAN 2009 SRK - Changed behavior of Lens checkbox. Now, it SETS parameters as needed for proper |
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20 | // configuration. 17.2 can be typed in for lens/prism on NG3. Invalid conditions |
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21 | // will automatically uncheck the box |
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22 | // |
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23 | // calculate what q-values you get based on the instruments settings |
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24 | // that you would typically input to SASCALC |
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25 | // calculation is for (80A radius spheres) * (beam stop shadow factor) |
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26 | // or a Debye function (Rg=50A) * (beam stop shadow factor) |
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27 | // - NOT true intensity, not counts, just a display |
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28 | // |
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29 | // To Do: |
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30 | // |
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31 | // Optional: |
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32 | // - freeze configurations with a user defined tag |
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33 | // - different model functions (+ change simple parameters) |
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34 | // - resolution smeared models |
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35 | // - "simulation" of data and error bars given a model and a total number of detector counts |
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36 | // - streamline code (globals needed in panel vs. wave needed for calculation) |
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37 | // |
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38 | // - there is a lot of re-calculation of things (a consequence of the fake-OO) that could be streamlined |
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39 | // |
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40 | // Done: |
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41 | // - include resolution effects (includes BS effect, smeared model) |
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42 | // - (data = 1) then multiply by a typical form factor |
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43 | // - masked two pixels around the edge, as default |
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44 | // - conversion from # guides to SSD from sascalc |
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45 | // - show multiple configurations at once |
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46 | // - interactive graphics on panel |
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47 | // - full capabilities of SASCALC |
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48 | // - correct beamstop diameter |
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49 | // - get the sample/huber position properly incorporated (ssd and sdd) |
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50 | // - get SDD value to update when switching NG7->NG3 and illegal value |
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51 | // - disallow 6 guides at NG3 (post a warning) |
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52 | // |
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53 | // |
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54 | |
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55 | Proc SASCALC() |
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56 | DoWindow/F SASCALC |
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57 | if(V_flag==0) |
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58 | S_initialize_space() |
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59 | initNG3() //start life as NG3 |
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60 | Sascalc_Panel() |
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61 | ReCalculateInten(1) //will use defaults |
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62 | Endif |
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63 | |
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64 | // now a checkbox as needed |
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65 | // DoWindow/F MC_SASCALC |
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66 | // if(V_flag==0) |
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67 | // MC_SASCALC() |
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68 | // endif |
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69 | End |
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70 | |
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71 | Proc S_initialize_space() |
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72 | NewDataFolder/O root:Packages |
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73 | NewDataFolder/O root:Packages:NIST |
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74 | NewDataFolder/O root:Packages:NIST:SAS |
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75 | |
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76 | Make/O/D/N=23 root:Packages:NIST:SAS:integersRead |
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77 | Make/O/D/N=52 root:Packages:NIST:SAS:realsRead |
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78 | Make/O/T/N=11 root:Packages:NIST:SAS:textRead |
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79 | // data |
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80 | Make/O/D/N=(128,128) root:Packages:NIST:SAS:data,root:Packages:NIST:SAS:linear_data |
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81 | Make/O/D/N=2 root:Packages:NIST:SAS:aveint,root:Packages:NIST:SAS:qval,root:Packages:NIST:SAS:sigave |
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82 | root:Packages:NIST:SAS:data = 1 |
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83 | root:Packages:NIST:SAS:linear_data = 1 |
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84 | // fill w/default values |
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85 | S_fillDefaultHeader(root:Packages:NIST:SAS:integersRead,root:Packages:NIST:SAS:realsRead,root:Packages:NIST:SAS:textRead) |
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86 | |
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87 | // other variables |
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88 | // -(hard coded right now - look for NVAR declarations) |
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89 | Variable/G root:Packages:NIST:gBinWidth=1 //uses global preference |
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90 | Variable/G root:Packages:NIST:SAS:gisLogScale=0 |
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91 | String/G root:Packages:NIST:SAS:FileList = "SASCALC" |
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92 | |
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93 | // for the panel |
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94 | Variable/G root:Packages:NIST:SAS:gInst=3 //or 7 for NG7 |
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95 | Variable/G root:Packages:NIST:SAS:gNg=0 |
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96 | Variable/G root:Packages:NIST:SAS:gTable=2 //2=chamber, 1=table |
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97 | Variable/G root:Packages:NIST:SAS:gDetDist=1000 //sample chamber to detector in cm |
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98 | Variable/G root:Packages:NIST:SAS:gSSD=1632 //!!SSD in cm fo 0 guides (derived from Ng) |
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99 | Variable/G root:Packages:NIST:SAS:gOffset=0 |
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100 | Variable/G root:Packages:NIST:SAS:gSamAp=1.27 //samAp diameter in cm |
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101 | Variable/G root:Packages:NIST:SAS:gLambda=6 |
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102 | Variable/G root:Packages:NIST:SAS:gDeltaLambda=0.125 //default value |
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103 | String/G root:Packages:NIST:SAS:gSourceApString = "1.43 cm;2.54 cm;3.81 cm;" |
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104 | String/G root:Packages:NIST:SAS:gDeltaLambdaStr = "0.109;0.125;0.236;" //ng3 defaults |
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105 | String/G root:Packages:NIST:SAS:gApPopStr = "1/16\";1/8\";3/16\";1/4\";5/16\";3/8\";7/16\";1/2\";9/16\";5/8\";11/16\";3/4\";other;" |
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106 | Variable/G root:Packages:NIST:SAS:gSamApOther = 10 //non-standard aperture diameter, in mm |
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107 | Variable/G root:Packages:NIST:SAS:gUsingLenses = 0 //0=no lenses, 1=lenses(or prisms) |
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108 | Variable/G root:Packages:NIST:SAS:gModelOffsetFactor = 1 |
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109 | |
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110 | // for the MC simulation |
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111 | Variable/G root:Packages:NIST:SAS:doSimulation =0 // == 1 if 1D simulated data, 0 if other from the checkbox |
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112 | Variable/G root:Packages:NIST:SAS:gRanDateTime=datetime |
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113 | Variable/G root:Packages:NIST:SAS:gImon = 10000 |
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114 | Variable/G root:Packages:NIST:SAS:gThick = 0.1 |
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115 | Variable/G root:Packages:NIST:SAS:gSig_incoh = 0.1 |
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116 | String/G root:Packages:NIST:SAS:gFuncStr = "" |
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117 | Variable/G root:Packages:NIST:SAS:gR2 = 2.54/2 |
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118 | Variable/G root:Packages:NIST:SAS:gSamTrans=0.8 //for 1D, default value |
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119 | Variable/G root:Packages:NIST:SAS:gCntTime = 300 |
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120 | Variable/G root:Packages:NIST:SAS:gDoMonteCarlo = 0 |
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121 | Variable/G root:Packages:NIST:SAS:gUse_MC_XOP = 1 //set to zero to use Igor code |
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122 | Variable/G root:Packages:NIST:SAS:gBeamStopIn = 1 //set to zero for beamstop out (transmission) |
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123 | Variable/G root:Packages:NIST:SAS:gRawCounts = 0 |
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124 | Variable/G root:Packages:NIST:SAS:gSaveIndex = 100 |
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125 | String/G root:Packages:NIST:SAS:gSavePrefix = "SIMUL" |
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126 | Variable/G root:Packages:NIST:SAS:gAutoSaveIndex = 100 //a way to set the index for automated saves |
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127 | String/G root:Packages:NIST:SAS:gAutoSaveLabel = "" //a way to set the "sample" label for automated saves |
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128 | Make/O/D/N=10 root:Packages:NIST:SAS:results = 0 |
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129 | Make/O/T/N=10 root:Packages:NIST:SAS:results_desc = {"total X-section (1/cm)","SAS X-section (1/cm)","number that scatter","number that reach detector","avg # times scattered","fraction single coherent","fraction multiple coherent","fraction multiple scattered","fraction transmitted","detector counts w/beamstop"} |
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130 | |
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131 | Variable/G root:Packages:NIST:SAS:g_1DTotCts = 0 //summed counts (simulated) |
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132 | Variable/G root:Packages:NIST:SAS:g_1DEstDetCR = 0 // estimated detector count rate |
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133 | Variable/G root:Packages:NIST:SAS:g_1DFracScatt = 0 // fraction of beam captured on detector |
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134 | Variable/G root:Packages:NIST:SAS:g_1DEstTrans = 0 // estimated transmission of sample |
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135 | Variable/G root:Packages:NIST:SAS:g_1D_DoABS = 1 |
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136 | Variable/G root:Packages:NIST:SAS:g_1D_AddNoise = 1 |
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137 | Variable/G root:Packages:NIST:SAS:g_MultScattFraction=0 |
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138 | Variable/G root:Packages:NIST:SAS:g_detectorEff=0.75 //average value for most wavelengths |
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139 | Variable/G root:Packages:NIST:SAS:g_actSimTime = 0 //for the save |
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140 | Variable/G root:Packages:NIST:SAS:g_SimTimeWarn = 10 //manually set to a very large value for scripted operation |
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141 | |
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142 | |
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143 | //tick labels for SDD slider |
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144 | //userTicks={tvWave,tlblWave } |
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145 | Make/O/D/N=5 root:Packages:NIST:SAS:tickSDDNG3,root:Packages:NIST:SAS:tickSDDNG7 |
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146 | Make/O/T/N=5 root:Packages:NIST:SAS:lblSDDNG3,root:Packages:NIST:SAS:lblSDDNG7 |
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147 | root:Packages:NIST:SAS:tickSDDNG3 = {133,400,700,1000,1317} |
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148 | root:Packages:NIST:SAS:lblSDDNG3 = {"133","400","700","1000","1317"} |
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149 | root:Packages:NIST:SAS:tickSDDNG7 = {100,450,800,1150,1530} |
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150 | root:Packages:NIST:SAS:lblSDDNG7 = {"100","450","800","1150","1530"} |
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151 | |
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152 | //for the fake dependency |
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153 | Variable/G root:Packages:NIST:SAS:gTouched=0 |
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154 | Variable/G root:Packages:NIST:SAS:gCalculate=0 |
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155 | //for plotting |
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156 | Variable/G root:Packages:NIST:SAS:gFreezeCount=1 //start the count at 1 to keep Jeff happy |
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157 | Variable/G root:Packages:NIST:SAS:gDoTraceOffset=0 // (1==Yes, offset 2^n), 0==turn off the offset |
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158 | |
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159 | End |
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160 | |
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161 | Function initNG3() |
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162 | |
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163 | SetDataFolder root:Packages:NIST:SAS |
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164 | |
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165 | Variable/G instrument = 3 |
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166 | Variable/G s12 = 54.8 |
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167 | Variable/G d_det = 0.5 |
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168 | Variable/G a_pixel = 0.5 |
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169 | Variable/G del_r = 0.5 |
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170 | Variable/G det_width = 64.0 |
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171 | Variable/G lambda_t = 5.50 |
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172 | Variable/G l2r_lower = 132.3 |
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173 | Variable/G l2r_upper = 1317 |
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174 | Variable/G lambda_lower = 2.5 |
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175 | Variable/G lambda_upper = 20.0 |
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176 | Variable/G d_upper = 25.0 |
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177 | Variable/G bs_factor = 1.05 |
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178 | Variable/G t1 = 0.63 |
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179 | Variable/G t2 = 1.0 |
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180 | Variable/G t3 = 0.75 |
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181 | Variable/G l_gap = 100.0 |
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182 | Variable/G guide_width = 6.0 |
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183 | Variable/G idmax = 100.0 |
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184 | // //old values, from 3/2002 |
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185 | // Variable/G phi_0 = 2.95e13 |
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186 | // Variable/G b = 0.023 |
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187 | // Variable/G c = 0.023 |
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188 | |
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189 | //new values, from 11/2009 --- BeamFluxReport_2009.ifn |
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190 | Variable/G phi_0 = 2.42e13 |
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191 | Variable/G b = 0.0 |
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192 | Variable/G c = -0.0243 |
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193 | Variable/G gGuide_loss = 0.924 |
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194 | |
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195 | //fwhm values (new variables) (+3, 0, -3, calibrated 2009) |
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196 | Variable/G fwhm_narrow = 0.109 |
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197 | Variable/G fwhm_mid = 0.125 |
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198 | Variable/G fwhm_wide = 0.236 |
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199 | |
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200 | //source apertures (cm) |
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201 | Variable/G a1_0_0 = 1.43 |
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202 | Variable/G a1_0_1 = 2.54 |
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203 | Variable/G a1_0_2 = 3.81 |
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204 | Variable/G a1_7_0 = 2.5 // after the polarizer |
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205 | Variable/G a1_7_1 = 5.0 |
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206 | Variable/G a1_def = 5.00 |
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207 | |
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208 | //default configuration values |
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209 | // ng = 0 |
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210 | // a1 = 3.81 |
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211 | // pos_table = 2 |
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212 | // l2r = 1310.0 |
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213 | // a2 = 1.27 |
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214 | // det_off = 0.0 |
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215 | // lambda = 6.0 |
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216 | // lambda_width = 0.15 |
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217 | Variable/G l2diff = 5.0 |
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218 | // |
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219 | SetDataFolder root: |
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220 | end |
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221 | |
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222 | Function initNG7() |
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223 | |
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224 | SetDataFolder root:Packages:NIST:SAS |
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225 | |
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226 | Variable/G instrument = 7 |
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227 | Variable/G s12 = 54.8 |
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228 | Variable/G d_det = 0.5 |
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229 | Variable/G a_pixel = 0.5 |
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230 | Variable/G del_r = 0.5 |
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231 | Variable/G det_width = 64.0 |
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232 | Variable/G lambda_t = 5.50 |
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233 | Variable/G l2r_lower = 100 |
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234 | Variable/G l2r_upper = 1531 |
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235 | Variable/G lambda_lower = 4.0 |
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236 | Variable/G lambda_upper = 20.0 |
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237 | Variable/G d_upper = 25.0 |
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238 | Variable/G bs_factor = 1.05 |
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239 | Variable/G t1 = 0.63 |
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240 | Variable/G t2 = 0.7 |
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241 | Variable/G t3 = 0.75 |
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242 | Variable/G l_gap = 188.0 |
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243 | Variable/G guide_width = 5.0 |
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244 | Variable/G idmax = 100.0 |
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245 | |
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246 | // //old values, from 3/2002 |
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247 | // Variable/G phi_0 = 2.3e13 |
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248 | // Variable/G b = 0.028 |
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249 | // Variable/G c = 0.028 |
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250 | |
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251 | //new values, from 11/2009 |
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252 | Variable/G phi_0 = 2.55e13 |
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253 | Variable/G b = 0.0395 |
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254 | Variable/G c = 0.0442 |
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255 | Variable/G gGuide_loss = 0.974 |
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256 | |
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257 | //fwhm values (new variables) |
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258 | Variable/G fwhm_narrow = 0.09 |
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259 | Variable/G fwhm_mid = 0.115 //2009 |
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260 | Variable/G fwhm_wide = 0.22 |
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261 | |
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262 | //source apertures (cm) |
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263 | Variable/G a1_0_0 = 1.43 |
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264 | Variable/G a1_0_1 = 2.22 |
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265 | Variable/G a1_0_2 = 3.81 |
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266 | Variable/G a1_7_0 = 5.0 // don't apply to NG7 |
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267 | Variable/G a1_7_1 = 5.0 |
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268 | Variable/G a1_def = 5.00 |
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269 | |
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270 | //default configuration values |
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271 | // ng = 0 |
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272 | // a1 = 2.22 |
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273 | // pos_table = 2 |
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274 | // l2r = 1530.0 |
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275 | // a2 = 1.27 |
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276 | // det_off = 0.0 |
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277 | // lambda = 6.0 |
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278 | // lambda_width = 0.11 |
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279 | Variable/G l2diff = 5.0 |
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280 | // |
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281 | SetDataFolder root: |
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282 | end |
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283 | |
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284 | Function S_fillDefaultHeader(iW,rW,tW) |
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285 | Wave iW,rW |
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286 | Wave/T tW |
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287 | |
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288 | // text wave |
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289 | // don't need anything |
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290 | |
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291 | // integer wave |
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292 | // don't need anything |
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293 | |
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294 | // real wave |
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295 | rw = 0 |
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296 | rw[16] = 64 // beamcenter X (pixels) |
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297 | rw[17] = 64 // beamcenter Y |
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298 | |
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299 | rw[10] = 5.08 //detector resolution (5mm) and calibration constants (linearity) |
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300 | rw[11] = 10000 |
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301 | rw[12] = 0 |
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302 | rw[13] = 5.08 |
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303 | rw[14] = 10000 |
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304 | rw[15] = 0 |
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305 | |
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306 | rw[20] = 65 // det size in cm |
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307 | rw[18] = 6 // SDD in meters (=L2) |
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308 | |
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309 | rw[26] = 6 //lambda in Angstroms |
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310 | rw[4] = 1 //transmission |
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311 | |
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312 | rw[21] = 76.2 //BS diameter in mm |
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313 | rw[23] = 50 //A1 diameter in mm |
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314 | rw[24] = 12.7 //A2 diameter in mm |
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315 | rw[25] = 7.02 //L1 distance in meters (derived from number of guides) |
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316 | rw[27] = 0.11 //DL/L wavelength spread |
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317 | |
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318 | return(0) |
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319 | End |
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320 | |
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321 | |
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322 | Window SASCALC_Panel() |
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323 | |
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324 | PauseUpdate; Silent 1 // building window... |
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325 | |
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326 | // if I make the graph a subwindow in a panel, it breaks the "append 1d" from the wrapper |
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327 | // NewPanel/W=(5,44,463,570)/K=1 as "SASCALC" |
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328 | // DoWindow/C SASCALC |
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329 | // ModifyPanel cbRGB=(49151,53155,65535) |
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330 | // |
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331 | // |
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332 | // String fldrSav0= GetDataFolder(1) |
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333 | // SetDataFolder root:Packages:NIST:SAS: |
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334 | // |
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335 | // Display/HOST=#/W=(5,200,463,570) aveint vs qval |
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336 | // ModifyGraph mode=3 |
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337 | // ModifyGraph marker=19 |
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338 | // ModifyGraph rgb=(0,0,0) |
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339 | // Modifygraph log=1 |
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340 | // Modifygraph grid=1 |
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341 | // Modifygraph mirror=2 |
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342 | // ModifyGraph msize(aveint)=2 |
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343 | // ErrorBars/T=0 aveint Y,wave=(sigave,sigave) |
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344 | // Label bottom, "Q (1/A)" |
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345 | // Label left, "Relative Intensity" |
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346 | // legend |
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347 | // |
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348 | // RenameWindow #,G_aveint |
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349 | // SetActiveSubwindow ## |
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350 | |
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351 | //// end panel commands |
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352 | |
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353 | /// draw as a graph |
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354 | String fldrSav0= GetDataFolder(1) |
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355 | SetDataFolder root:Packages:NIST:SAS: |
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356 | |
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357 | Display/W=(5,44,463,570)/K=1 aveint vs qval as "SASCALC" |
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358 | DoWindow/C SASCALC |
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359 | ModifyGraph cbRGB=(49151,53155,65535) |
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360 | ModifyGraph mode=3 |
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361 | ModifyGraph marker=19 |
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362 | ModifyGraph rgb=(0,0,0) |
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363 | Modifygraph log=1 |
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364 | Modifygraph grid=1 |
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365 | Modifygraph mirror=2 |
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366 | ModifyGraph msize(aveint)=2 |
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367 | ErrorBars/T=0 aveint Y,wave=(sigave,sigave) |
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368 | Label bottom, "Q (1/A)" |
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369 | Label left, "Relative Intensity" |
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370 | legend |
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371 | |
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372 | ControlBar/T 200 |
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373 | |
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374 | SetDataFolder fldrSav0 |
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375 | |
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376 | Slider SC_Slider,pos={11,46},size={150,45},proc=GuideSliderProc,live=0 |
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377 | Slider SC_Slider,limits={0,8,1},variable= root:Packages:NIST:SAS:gNg,vert= 0//,thumbColor= (1,16019,65535) |
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378 | Slider SC_Slider_1,pos={234,45},size={150,45},proc=DetDistSliderProc,live=0 |
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379 | Slider SC_Slider_1,tkLblRot= 90,userTicks={root:Packages:NIST:SAS:tickSDDNG3,root:Packages:NIST:SAS:lblSDDNG3 } |
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380 | Slider SC_Slider_1,limits={133,1317,1},variable= root:Packages:NIST:SAS:gDetDist,vert= 0//,thumbColor= (1,16019,65535) |
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381 | Slider SC_Slider_2,pos={394,21},size={47,65},proc=OffsetSliderProc,live=0,ticks=4 |
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382 | Slider SC_Slider_2,limits={0,25,1},variable= root:Packages:NIST:SAS:gOffset//,thumbColor= (1,16019,65535) |
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383 | CheckBox checkNG3,pos={20,19},size={36,14},proc=SelectInstrumentCheckProc,title="NG3" |
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384 | CheckBox checkNG3,value=1,mode=1 |
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385 | CheckBox checkNG7,pos={66,19},size={36,14},proc=SelectInstrumentCheckProc,title="NG7" |
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386 | CheckBox checkNG7,value=0,mode=1 |
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387 | CheckBox checkChamber,pos={172,48},size={57,14},proc=TableCheckProc,title="Chamber" |
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388 | CheckBox checkChamber,value=1,mode=1 |
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389 | CheckBox checkHuber,pos={172,27},size={44,14},proc=TableCheckProc,title="Huber" |
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390 | CheckBox checkHuber,value=0,mode=1 |
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391 | PopupMenu popup0,pos={6,94},size={76,20},proc=SourceAperturePopMenuProc |
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392 | PopupMenu popup0,mode=1,popvalue="3.81 cm",value= root:Packages:NIST:SAS:gSourceApString |
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393 | PopupMenu popup0_1,pos={172,72},size={49,20},proc=SampleAperturePopMenuProc |
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394 | PopupMenu popup0_1,mode=8,popvalue="1/2\"",value= root:Packages:NIST:SAS:gApPopStr |
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395 | SetVariable setvar0,pos={301,107},size={130,15},title="Det Dist (cm)",proc=SDDSetVarProc |
---|
396 | SetVariable setvar0,limits={133,1317,1},value=root:Packages:NIST:SAS:gDetDist |
---|
397 | SetVariable setvar0_1,pos={321,129},size={110,15},title="Offset (cm)",proc=OffsetSetVarProc |
---|
398 | SetVariable setvar0_1,limits={0,25,1},value= root:Packages:NIST:SAS:gOffset |
---|
399 | SetVariable setvar0_2,pos={6,130},size={90,15},title="Lambda",proc=LambdaSetVarProc |
---|
400 | SetVariable setvar0_2,limits={4,20,0.1},value= root:Packages:NIST:SAS:gLambda |
---|
401 | PopupMenu popup0_2,pos={108,127},size={55,20},proc=DeltaLambdaPopMenuProc |
---|
402 | PopupMenu popup0_2,mode=2,value= root:Packages:NIST:SAS:gDeltaLambdaStr |
---|
403 | Button FreezeButton title="Freeze",size={60,20},pos={180,166} |
---|
404 | Button FreezeButton proc=FreezeButtonProc |
---|
405 | Button ClearButton title="Clear",size={60,20},pos={250,166} |
---|
406 | Button ClearButton proc=S_ClearButtonProc |
---|
407 | GroupBox group0,pos={6,1},size={108,36},title="Instrument" |
---|
408 | SetDataFolder fldrSav0 |
---|
409 | |
---|
410 | SetVariable setvar0_3,pos={140,94},size={110,15},title="Diam (mm)",disable=1 |
---|
411 | SetVariable setvar0_3,limits={0,100,0.1},value= root:Packages:NIST:SAS:gSamApOther,proc=SampleApOtherSetVarProc |
---|
412 | |
---|
413 | CheckBox checkLens,pos={6,155},size={44,14},proc=LensCheckProc,title="Lenses?" |
---|
414 | CheckBox checkLens,value=root:Packages:NIST:SAS:gUsingLenses |
---|
415 | |
---|
416 | CheckBox checkSim,pos={6,175},size={44,14},proc=SimCheckProc,title="Simulation?" |
---|
417 | CheckBox checkSim,value=0 |
---|
418 | |
---|
419 | // help, done buttons |
---|
420 | Button SC_helpButton,pos={340,166},size={25,20},proc=showSASCALCHelp,title="?" |
---|
421 | Button SC_helpButton,help={"Show help file for simulation of SANS Data"} |
---|
422 | Button SC_DoneButton,pos={380,166},size={50,20},proc=SASCALCDoneButton,title="Done" |
---|
423 | Button SC_DoneButton,help={"This button will close the panel"} |
---|
424 | |
---|
425 | // set up a fake dependency to trigger recalculation |
---|
426 | //root:Packages:NIST:SAS:gCalculate := ReCalculateInten(root:Packages:NIST:SAS:gTouched) |
---|
427 | EndMacro |
---|
428 | |
---|
429 | //clean up |
---|
430 | Proc SASCALCDoneButton(ctrlName): ButtonControl |
---|
431 | String ctrlName |
---|
432 | DoWindow/K SASCALC |
---|
433 | DoWindow/K Trial_Configuration |
---|
434 | DoWindow/K Saved_Configurations |
---|
435 | DoWindow/K MC_SASCALC |
---|
436 | DoWindow/K Sim_1D_Panel |
---|
437 | end |
---|
438 | |
---|
439 | // |
---|
440 | Proc showSASCALCHelp(ctrlName): ButtonControl |
---|
441 | String ctrlName |
---|
442 | DisplayHelpTopic/K=1/Z "SASCALC" |
---|
443 | if(V_flag !=0) |
---|
444 | DoAlert 0,"The SANS Simulation Help file could not be found" |
---|
445 | endif |
---|
446 | end |
---|
447 | |
---|
448 | // based on the instrument selected... |
---|
449 | //set the SDD range |
---|
450 | // set the source aperture popup (based on NGx and number of guides) |
---|
451 | // set the wavelength spread popup |
---|
452 | // |
---|
453 | Function UpdateControls() |
---|
454 | //poll the controls on the panel, and change needed values |
---|
455 | Variable isNG3,Ng,mode |
---|
456 | ControlInfo/W=SASCALC checkNG3 |
---|
457 | isNG3=V_value |
---|
458 | ControlInfo/W=SASCALC SC_slider |
---|
459 | Ng=V_value |
---|
460 | SVAR A1str= root:Packages:NIST:SAS:gSourceApString// = "1.43 cm;2.54 cm;3.81 cm;" |
---|
461 | SVAR dlStr = root:Packages:NIST:SAS:gDeltaLambdaStr |
---|
462 | if(isNG3) |
---|
463 | switch(ng) |
---|
464 | case 0: |
---|
465 | ControlInfo/W=SASCALC popup0 |
---|
466 | mode=V_value |
---|
467 | A1str="1.43 cm;2.54 cm;3.81 cm;" |
---|
468 | break |
---|
469 | case 6: |
---|
470 | A1str = "! 6 Guides invalid;" |
---|
471 | mode=1 |
---|
472 | break |
---|
473 | case 7: // switched order in 2009 to keep 5 cm as default, 2.5 cm for polarizer |
---|
474 | A1Str = "5.00 cm;2.50 cm;" |
---|
475 | mode = 1 |
---|
476 | break |
---|
477 | default: |
---|
478 | A1str = "5 cm;" |
---|
479 | mode=1 |
---|
480 | endswitch |
---|
481 | //wavelength spread |
---|
482 | dlStr = "0.109;0.125;0.236;" //updated calibration 2009 |
---|
483 | //detector limits |
---|
484 | SetVariable setvar0,limits={133,1317,1} |
---|
485 | NVAR detDist=root:Packages:NIST:SAS:gDetDist |
---|
486 | if(detDist < 133 ) |
---|
487 | detDist = 133 |
---|
488 | elseif (detDist > 1317 ) |
---|
489 | detDist = 1317 |
---|
490 | endif |
---|
491 | Slider SC_Slider_1,limits={133,1317,1},userTicks={root:Packages:NIST:SAS:tickSDDNG3,root:Packages:NIST:SAS:lblSDDNG3 } |
---|
492 | Slider SC_Slider_1,variable=root:Packages:NIST:SAS:gDetDist //forces update |
---|
493 | else //ng7 |
---|
494 | switch(ng) |
---|
495 | case 0: |
---|
496 | ControlInfo/W=SASCALC popup0 |
---|
497 | mode=V_value |
---|
498 | A1str="1.43 cm;2.22 cm;3.81 cm;" |
---|
499 | break |
---|
500 | default: |
---|
501 | A1str = "5.08 cm;" |
---|
502 | mode=1 |
---|
503 | endswitch |
---|
504 | |
---|
505 | dlStr = "0.09;0.115;0.22;" |
---|
506 | Slider SC_Slider_1,limits={100,1531,1},userTicks={root:Packages:NIST:SAS:tickSDDNG7,root:Packages:NIST:SAS:lblSDDNG7 } |
---|
507 | SetVariable setvar0,limits={100,1531,1} |
---|
508 | Slider SC_Slider_1,variable=root:Packages:NIST:SAS:gDetDist //forces update |
---|
509 | endif |
---|
510 | ControlUpdate popup0 |
---|
511 | PopupMenu popup0,mode=mode //source Ap |
---|
512 | ControlInfo/W=SASCALC popup0 |
---|
513 | SourceAperturePopMenuProc("",0,S_Value) //send popNum==0 so recalculation won't be done |
---|
514 | |
---|
515 | ControlUpdate popup0_2 // delta lambda pop |
---|
516 | ControlInfo/W=SASCALC popup0_2 |
---|
517 | DeltaLambdaPopMenuProc("",0,S_Value) //sets the global and the wave |
---|
518 | End |
---|
519 | |
---|
520 | //changing the number of guides changes the SSD |
---|
521 | // the source aperture popup may need to be updated |
---|
522 | // |
---|
523 | Function GuideSliderProc(ctrlName,sliderValue,event) |
---|
524 | String ctrlName |
---|
525 | Variable sliderValue |
---|
526 | Variable event // bit field: bit 0: value set, 1: mouse down, 2: mouse up, 3: mouse moved |
---|
527 | |
---|
528 | Variable recalc=0 |
---|
529 | |
---|
530 | if(event %& 0x1) // bit 0, value set |
---|
531 | if(cmpstr(ctrlName,"") != 0) //here by direct action, so do LensCheck and recalculate |
---|
532 | recalc=1 |
---|
533 | LensCheckProc("",2) //make sure lenses are deselected |
---|
534 | endif |
---|
535 | sourceToSampleDist() //updates the SSD global and wave |
---|
536 | //change the sourceAp popup, SDD range, etc |
---|
537 | UpdateControls() |
---|
538 | ReCalculateInten(recalc) |
---|
539 | endif |
---|
540 | return 0 |
---|
541 | End |
---|
542 | |
---|
543 | // changing the detector position changes the SDD |
---|
544 | // |
---|
545 | Function DetDistSliderProc(ctrlName,sliderValue,event) |
---|
546 | String ctrlName |
---|
547 | Variable sliderValue |
---|
548 | Variable event // bit field: bit 0: value set, 1: mouse down, 2: mouse up, 3: mouse moved |
---|
549 | |
---|
550 | Variable recalc=0 |
---|
551 | if(event %& 0x1) // bit 0, value set |
---|
552 | if(cmpstr(ctrlName,"") != 0) |
---|
553 | recalc=1 |
---|
554 | LensCheckProc("",2) //make sure lenses are only selected for valid configurations |
---|
555 | endif |
---|
556 | sampleToDetectorDist() //changes the SDD and wave (DetDist is the global) |
---|
557 | ReCalculateInten(recalc) |
---|
558 | endif |
---|
559 | |
---|
560 | return 0 |
---|
561 | End |
---|
562 | |
---|
563 | // change the offset |
---|
564 | // - changes the beamcenter (x,y) position too |
---|
565 | Function OffsetSliderProc(ctrlName,sliderValue,event) |
---|
566 | String ctrlName |
---|
567 | Variable sliderValue |
---|
568 | Variable event // bit field: bit 0: value set, 1: mouse down, 2: mouse up, 3: mouse moved |
---|
569 | |
---|
570 | if(event %& 0x1) // bit 0, value set |
---|
571 | detectorOffset() |
---|
572 | ReCalculateInten(1) |
---|
573 | endif |
---|
574 | |
---|
575 | return 0 |
---|
576 | End |
---|
577 | |
---|
578 | // changing the instrument - |
---|
579 | // re-initialize the global values |
---|
580 | // update the controls to appropriate limits/choices |
---|
581 | // |
---|
582 | Function SelectInstrumentCheckProc(ctrlName,checked) : CheckBoxControl |
---|
583 | String ctrlName |
---|
584 | Variable checked |
---|
585 | |
---|
586 | if(cmpstr(ctrlName,"checkNG3")==0) |
---|
587 | checkBox checkNG3, value=1 |
---|
588 | checkBox checkNG7, value=0 |
---|
589 | initNG3() |
---|
590 | else |
---|
591 | checkBox checkNG3, value=0 |
---|
592 | checkBox checkNG7, value=1 |
---|
593 | initNG7() |
---|
594 | endif |
---|
595 | LensCheckProc("",2) //check if lenses are still valid (they won't be) |
---|
596 | UpdateControls() |
---|
597 | ReCalculateInten(1) |
---|
598 | End |
---|
599 | |
---|
600 | //changing the table position |
---|
601 | // changes the SSD and SDD |
---|
602 | Function TableCheckProc(ctrlName,checked) : CheckBoxControl |
---|
603 | String ctrlName |
---|
604 | Variable checked |
---|
605 | |
---|
606 | NVAR table=root:Packages:NIST:SAS:gTable |
---|
607 | if(cmpstr(ctrlName,"checkHuber")==0) |
---|
608 | checkBox checkHuber, value=1 |
---|
609 | checkBox checkChamber, value=0 |
---|
610 | table=1 //in Huber position |
---|
611 | else |
---|
612 | checkBox checkHuber, value=0 |
---|
613 | checkBox checkChamber, value=1 |
---|
614 | table = 2 //in Sample chamber |
---|
615 | endif |
---|
616 | sampleToDetectorDist() |
---|
617 | sourceToSampleDist() //update |
---|
618 | ReCalculateInten(1) |
---|
619 | End |
---|
620 | |
---|
621 | |
---|
622 | //lenses (or prisms) in/out changes resolution |
---|
623 | // |
---|
624 | // passing in a checked == 2 will do a check of the configuration without |
---|
625 | // affecting the box state |
---|
626 | // |
---|
627 | // if an invalid configuration is detected, the box is unchecked |
---|
628 | // and the lens flag is set to zero (=out). |
---|
629 | // |
---|
630 | // When necessary controls are "popped", a ctrlName="" is passed to signal the control |
---|
631 | // to NOT recalculate the intensity, and to NOT (recursively) call LensCheckProc again |
---|
632 | // |
---|
633 | // currently, the 17.2 A for lens/prism @ ng3 must be typed in |
---|
634 | // |
---|
635 | Function LensCheckProc(ctrlName,checked) : CheckBoxControl |
---|
636 | String ctrlName |
---|
637 | Variable checked |
---|
638 | |
---|
639 | // don't let the box get checked if the conditions are wrong |
---|
640 | // lambda != 8.09,8.4,17.2 |
---|
641 | // Ng != 0 |
---|
642 | NVAR lens = root:Packages:NIST:SAS:gUsingLenses |
---|
643 | NVAR ng = root:Packages:NIST:SAS:gNg |
---|
644 | NVAR lam = root:Packages:NIST:SAS:gLambda |
---|
645 | NVAR dist = root:Packages:NIST:SAS:gDetDist |
---|
646 | NVAR instrument = root:Packages:NIST:SAS:instrument |
---|
647 | Wave rw=root:Packages:NIST:SAS:realsRead |
---|
648 | |
---|
649 | // directly uncheck the box, just set the flag and get out |
---|
650 | if(checked == 0) |
---|
651 | lens = 0 |
---|
652 | CheckBox checkLens,value=0 |
---|
653 | rw[28]=0 //flag for lenses out |
---|
654 | ReCalculateInten(1) |
---|
655 | return(0) |
---|
656 | endif |
---|
657 | |
---|
658 | // check the box, enforce the proper conditions |
---|
659 | if(checked == 1) |
---|
660 | lens = checked |
---|
661 | if(instrument == 3) |
---|
662 | dist = 1317 |
---|
663 | DetDistSliderProc("",1317,1) |
---|
664 | |
---|
665 | lam = 8.4 |
---|
666 | LambdaSetVarProc("",8.4,"8.4","") |
---|
667 | |
---|
668 | ng=0 |
---|
669 | GuideSliderProc("",0,1) //this updates the controls to the new # of guides |
---|
670 | |
---|
671 | PopupMenu popup0,mode=1,popvalue="1.43 cm" //first item in source aperture menu |
---|
672 | |
---|
673 | PopupMenu popup0_2,mode=2 //deltaLambda |
---|
674 | ControlInfo popup0_2 |
---|
675 | DeltaLambdaPopMenuProc("",0,S_value) //zero as 2nd param skips recalculation |
---|
676 | else |
---|
677 | dist = 1531 |
---|
678 | DetDistSliderProc("",1531,1) |
---|
679 | |
---|
680 | lam = 8.09 |
---|
681 | LambdaSetVarProc("",8.09,"8.09","") |
---|
682 | |
---|
683 | ng=0 |
---|
684 | GuideSliderProc("",0,1) |
---|
685 | PopupMenu popup0,mode=1,popvalue="1.43 cm" //first item |
---|
686 | |
---|
687 | PopupMenu popup0_2,mode=2 //deltaLambda |
---|
688 | ControlInfo popup0_2 |
---|
689 | DeltaLambdaPopMenuProc("",0,S_value) //zero as 2nd param skips recalculation |
---|
690 | endif |
---|
691 | rw[28]=1 //flag for lenses in (not the true number, but OK) |
---|
692 | ReCalculateInten(1) |
---|
693 | endif |
---|
694 | |
---|
695 | // this is my internal check to see if conditions are still valid |
---|
696 | // I'll uncheck as needed |
---|
697 | if(checked == 2) |
---|
698 | |
---|
699 | // source aperture must be 1.43 cm diameter |
---|
700 | // number of guides must be zero |
---|
701 | Variable a1 = sourceApertureDiam() |
---|
702 | if(a1 != 1.43 || Ng !=0) |
---|
703 | lens = 0 |
---|
704 | CheckBox checkLens,value=0 |
---|
705 | rw[28]=0 //flag for lenses out |
---|
706 | return(0) |
---|
707 | endif |
---|
708 | |
---|
709 | // instrument specific distance requirements |
---|
710 | if(instrument == 3 && dist != 1317) |
---|
711 | lens = 0 |
---|
712 | CheckBox checkLens,value=0 |
---|
713 | rw[28]=0 //flag for lenses out |
---|
714 | return(0) |
---|
715 | endif |
---|
716 | |
---|
717 | if(instrument == 7 && dist != 1531) |
---|
718 | lens = 0 |
---|
719 | CheckBox checkLens,value=0 |
---|
720 | rw[28]=0 //flag for lenses out |
---|
721 | return(0) |
---|
722 | endif |
---|
723 | |
---|
724 | // instrument specific wavelength requirements |
---|
725 | if(instrument == 3 && !(lam == 8.4 || lam == 17.2) ) |
---|
726 | lens = 0 |
---|
727 | CheckBox checkLens,value=0 |
---|
728 | rw[28]=0 //flag for lenses out |
---|
729 | return(0) |
---|
730 | endif |
---|
731 | |
---|
732 | if(instrument == 7 && lam != 8.09 ) |
---|
733 | lens = 0 |
---|
734 | CheckBox checkLens,value=0 |
---|
735 | rw[28]=0 //flag for lenses out |
---|
736 | return(0) |
---|
737 | endif |
---|
738 | |
---|
739 | endif |
---|
740 | |
---|
741 | return(1) //return value not used |
---|
742 | End |
---|
743 | |
---|
744 | //simulation controls as a control bar that toggles on/off to the right |
---|
745 | // |
---|
746 | // depending on the state of the 2D flag, open the 1d or 2d control panel |
---|
747 | Function SimCheckProc(ctrlName,checked) : CheckBoxControl |
---|
748 | String ctrlName |
---|
749 | Variable checked |
---|
750 | |
---|
751 | if(checked) |
---|
752 | NVAR do2D = root:Packages:NIST:SAS:gDoMonteCarlo |
---|
753 | |
---|
754 | if(do2D) |
---|
755 | DoWindow/F MC_SASCALC |
---|
756 | if(V_flag==0) |
---|
757 | Execute "MC_SASCALC()" //sets the variable |
---|
758 | AutoPositionWindow/M=1/R=SASCALC MC_SASCALC |
---|
759 | endif |
---|
760 | else |
---|
761 | //draw 1D panel |
---|
762 | DoWindow/F Sim_1D_Panel |
---|
763 | if(V_flag==0) |
---|
764 | Execute "Sim_1D_Panel()" |
---|
765 | AutoPositionWindow/M=1/R=SASCALC Sim_1D_Panel |
---|
766 | endif |
---|
767 | endif |
---|
768 | NVAR doSim = root:Packages:NIST:SAS:doSimulation |
---|
769 | doSim=1 |
---|
770 | else |
---|
771 | //get rid of the controls (just try both) |
---|
772 | DoWindow MC_SASCALC |
---|
773 | if(V_flag!=0) |
---|
774 | NVAR do2D = root:Packages:NIST:SAS:gDoMonteCarlo |
---|
775 | do2D = 0 |
---|
776 | KillWindow MC_SASCALC |
---|
777 | endif |
---|
778 | DoWindow Sim_1D_Panel |
---|
779 | if(V_flag!=0) |
---|
780 | KillWindow Sim_1D_Panel |
---|
781 | endif |
---|
782 | |
---|
783 | NVAR doSim = root:Packages:NIST:SAS:doSimulation |
---|
784 | doSim=0 |
---|
785 | endif |
---|
786 | |
---|
787 | return(0) |
---|
788 | End |
---|
789 | |
---|
790 | // change the source aperture |
---|
791 | // |
---|
792 | Function SourceAperturePopMenuProc(ctrlName,popNum,popStr) : PopupMenuControl |
---|
793 | String ctrlName |
---|
794 | Variable popNum |
---|
795 | String popStr |
---|
796 | |
---|
797 | Variable a1 = sourceApertureDiam() //sets the new value in the wave |
---|
798 | |
---|
799 | // if LensCheckProc is calling this, don't call it again. |
---|
800 | // if this is called by a direct pop, then check |
---|
801 | if(cmpstr(ctrlName,"") != 0) |
---|
802 | LensCheckProc("",2) //make sure lenses are only selected for valid configurations |
---|
803 | endif |
---|
804 | |
---|
805 | ReCalculateInten(popnum) //skip the recalculation if I pass in a zero |
---|
806 | End |
---|
807 | |
---|
808 | // set sample aperture |
---|
809 | // |
---|
810 | Function SampleAperturePopMenuProc(ctrlName,popNum,popStr) : PopupMenuControl |
---|
811 | String ctrlName |
---|
812 | Variable popNum |
---|
813 | String popStr |
---|
814 | |
---|
815 | sampleApertureDiam() |
---|
816 | ReCalculateInten(1) |
---|
817 | End |
---|
818 | |
---|
819 | // set sample to detector distance |
---|
820 | // |
---|
821 | Function SDDSetVarProc(ctrlName,varNum,varStr,varName) : SetVariableControl |
---|
822 | String ctrlName |
---|
823 | Variable varNum |
---|
824 | String varStr |
---|
825 | String varName |
---|
826 | |
---|
827 | sampleToDetectorDist() |
---|
828 | if(cmpstr(ctrlName,"") != 0) |
---|
829 | LensCheckProc("",2) //make sure lenses are only selected for valid configurations |
---|
830 | endif |
---|
831 | ReCalculateInten(1) |
---|
832 | End |
---|
833 | |
---|
834 | // set offset |
---|
835 | // -- also changes the beamcenter (x,y) |
---|
836 | // |
---|
837 | Function OffsetSetVarProc(ctrlName,varNum,varStr,varName) : SetVariableControl |
---|
838 | String ctrlName |
---|
839 | Variable varNum |
---|
840 | String varStr |
---|
841 | String varName |
---|
842 | |
---|
843 | detectorOffset() //sets the offset in the wave and also the new (x,y) beamcenter |
---|
844 | |
---|
845 | ReCalculateInten(1) |
---|
846 | return(0) |
---|
847 | End |
---|
848 | |
---|
849 | // change the wavelength |
---|
850 | Function LambdaSetVarProc(ctrlName,varNum,varStr,varName) : SetVariableControl |
---|
851 | String ctrlName |
---|
852 | Variable varNum |
---|
853 | String varStr |
---|
854 | String varName |
---|
855 | |
---|
856 | WAVE rw=root:Packages:NIST:SAS:realsRead |
---|
857 | Variable recalc=0 |
---|
858 | |
---|
859 | rw[26] = str2num(varStr) |
---|
860 | if(cmpstr(ctrlName,"") != 0) |
---|
861 | recalc=1 |
---|
862 | LensCheckProc("",2) //make sure lenses are only selected for valid configurations |
---|
863 | endif |
---|
864 | ReCalculateInten(recalc) |
---|
865 | return(0) |
---|
866 | End |
---|
867 | |
---|
868 | |
---|
869 | // change the wavelength spread |
---|
870 | Function DeltaLambdaPopMenuProc(ctrlName,popNum,popStr) : PopupMenuControl |
---|
871 | String ctrlName |
---|
872 | Variable popNum |
---|
873 | String popStr |
---|
874 | |
---|
875 | NVAR dl=root:Packages:NIST:SAS:gDeltaLambda |
---|
876 | dl=str2num(popStr) |
---|
877 | WAVE rw=root:Packages:NIST:SAS:realsRead |
---|
878 | rw[27] = dl |
---|
879 | ReCalculateInten(popnum) //skip the calculation if I pass in zero |
---|
880 | return(0) |
---|
881 | End |
---|
882 | |
---|
883 | |
---|
884 | // calculate the intensity |
---|
885 | // - either do MC or the straight calculation. |
---|
886 | // |
---|
887 | // *****currently the smeared calculation is turned off, by not prepending "fSmeared" to the FUNCREFs) |
---|
888 | // --- the random deviate can't be calculated for the smeared model since I don't know the resolution |
---|
889 | // function over an infinite q-range, just the detector. Maybe the interpolation is OK, but I |
---|
890 | // don't really have a good way of testing this. Also, the resolution calculation explicitly multiplies |
---|
891 | // by fShad, and this wrecks the random deviate calculation. The 2D looks great, but the probabilities |
---|
892 | // are all wrong. fShad is only appropriate post-simulation. |
---|
893 | // |
---|
894 | // |
---|
895 | // (--NO--) ALWAYS DOES THE RESOLUTION SMEARED CALCULATION |
---|
896 | // even though the unsmeared model is plotted. this is more realistic to |
---|
897 | // present to users that are planning base on what they will see in an experiment. |
---|
898 | // |
---|
899 | // some bits of the calculation are in a root:Simulation folder that are needed for the resolution smeared calculation |
---|
900 | // all other bits (as possible) are in the SAS folder (a 2D work folder) |
---|
901 | // |
---|
902 | // passing in one does the calculation, "normal" or MC, depending on the global. Normal calculation is the default |
---|
903 | // passing in zero from a control skips the calculation |
---|
904 | // |
---|
905 | Function ReCalculateInten(doIt) |
---|
906 | Variable doIt |
---|
907 | |
---|
908 | if(doIt==0) |
---|
909 | return(0) |
---|
910 | endif |
---|
911 | |
---|
912 | // update the wave with the beamstop diameter here, since I don't know what |
---|
913 | // combinations of parameters will change the BS - but anytime the curve is |
---|
914 | // recalculated, or the text displayed, the right BS must be present |
---|
915 | beamstopDiam() |
---|
916 | |
---|
917 | // generate the resolution waves first, so they are present for a smearing calculation |
---|
918 | // average the "fake" 2d data now to generate the smearing information |
---|
919 | S_CircularAverageTo1D("SAS") |
---|
920 | WAVE aveint=root:Packages:NIST:SAS:aveint |
---|
921 | WAVE qval=root:Packages:NIST:SAS:qval |
---|
922 | WAVE sigave=root:Packages:NIST:SAS:sigave |
---|
923 | WAVE SigmaQ=root:Packages:NIST:SAS:sigmaQ |
---|
924 | WAVE qbar=root:Packages:NIST:SAS:qbar |
---|
925 | WAVE fSubS=root:Packages:NIST:SAS:fSubS |
---|
926 | |
---|
927 | //generate a "fake" 1d data folder/set named "Simulation" |
---|
928 | Fake1DDataFolder(qval,aveint,sigave,sigmaQ,qbar,fSubs,"Simulation") |
---|
929 | |
---|
930 | // do the simulation here, or not |
---|
931 | Variable r1,xCtr,yCtr,sdd,pixSize,wavelength |
---|
932 | String coefStr,abortStr,str |
---|
933 | |
---|
934 | // now the cases are: simulation (0|1), 1D (default) or 2D (hidden) |
---|
935 | NVAR doMonteCarlo = root:Packages:NIST:SAS:gDoMonteCarlo // == 1 if 2D MonteCarlo set by hidden flag |
---|
936 | NVAR doSimulation = root:Packages:NIST:SAS:doSimulation // == 1 if 1D simulated data, 0 if other from the checkbox |
---|
937 | SVAR funcStr = root:Packages:NIST:SAS:gFuncStr //set by the popup |
---|
938 | |
---|
939 | if(doSimulation == 1) |
---|
940 | if(doMonteCarlo == 1) |
---|
941 | //2D simulation (in MultiScatter_MonteCarlo_2D.ipf) |
---|
942 | |
---|
943 | Simulate_2D_MC(funcStr,aveint,qval,sigave,sigmaq,qbar,fsubs) |
---|
944 | |
---|
945 | //end 2D simulation |
---|
946 | else |
---|
947 | //1D simulation |
---|
948 | |
---|
949 | if(exists(funcStr) != 0) |
---|
950 | |
---|
951 | Simulate_1D(funcStr,aveint,qval,sigave,sigmaq,qbar,fsubs) |
---|
952 | |
---|
953 | else |
---|
954 | //no function plotted, no simulation can be done |
---|
955 | DoAlert 0,"No function is selected or plotted, so no simulation is done. The default Debye function is used." |
---|
956 | |
---|
957 | aveint = S_Debye(1000,100,0.0,qval) |
---|
958 | aveint *= fSubS // multiply either estimate by beamstop shadowing |
---|
959 | sigave = 0 //reset for model calculation |
---|
960 | endif |
---|
961 | |
---|
962 | endif // end 1D simulation |
---|
963 | else |
---|
964 | //no simulation |
---|
965 | |
---|
966 | aveint = S_Debye(1000,100,0.0,qval) |
---|
967 | aveint *= fSubS // multiply either estimate by beamstop shadowing |
---|
968 | sigave = 0 //reset for model calculation |
---|
969 | |
---|
970 | //end no simulation |
---|
971 | endif |
---|
972 | |
---|
973 | |
---|
974 | //display the configuration text in a separate notebook |
---|
975 | DisplayConfigurationText() |
---|
976 | |
---|
977 | return(0) |
---|
978 | End |
---|
979 | |
---|
980 | //freezes the current configuration |
---|
981 | // -1- duplicates the trace on the graph |
---|
982 | // -2- copies the configuration text to a second notebook window for printing |
---|
983 | Function FreezeButtonProc(ctrlName) : ButtonControl |
---|
984 | String ctrlName |
---|
985 | |
---|
986 | String str="" |
---|
987 | NVAR ct=root:Packages:NIST:SAS:gFreezeCount |
---|
988 | |
---|
989 | |
---|
990 | SetDataFolder root:Packages:NIST:SAS |
---|
991 | |
---|
992 | Duplicate/O aveint,$("aveint_"+num2str(ct)) |
---|
993 | Duplicate/O qval,$("qval_"+num2str(ct)) |
---|
994 | Duplicate/O sigave,$("sigave_"+num2str(ct)) |
---|
995 | Appendtograph $("aveint_"+num2str(ct)) vs $("qval_"+num2str(ct)) |
---|
996 | ModifyGraph mode($("aveint_"+num2str(ct)))=3 |
---|
997 | ModifyGraph marker($("aveint_"+num2str(ct)))=19 |
---|
998 | ModifyGraph msize($("aveint_"+num2str(ct)))=2 |
---|
999 | ErrorBars/T=0 $("aveint_"+num2str(ct)) Y,wave=($("sigave_"+num2str(ct)),$("sigave_"+num2str(ct))) |
---|
1000 | |
---|
1001 | switch(mod(ct,10)) // 10 different colors - black is the unfrozen color |
---|
1002 | case 0: |
---|
1003 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(65535,16385,16385) |
---|
1004 | break |
---|
1005 | case 1: |
---|
1006 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(2,39321,1) |
---|
1007 | break |
---|
1008 | case 2: |
---|
1009 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(0,0,65535) |
---|
1010 | break |
---|
1011 | case 3: |
---|
1012 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(39321,1,31457) |
---|
1013 | break |
---|
1014 | case 4: |
---|
1015 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(48059,48059,48059) |
---|
1016 | break |
---|
1017 | case 5: |
---|
1018 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(65535,32768,32768) |
---|
1019 | break |
---|
1020 | case 6: |
---|
1021 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(0,65535,0) |
---|
1022 | break |
---|
1023 | case 7: |
---|
1024 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(16385,65535,65535) |
---|
1025 | break |
---|
1026 | case 8: |
---|
1027 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(65535,32768,58981) |
---|
1028 | break |
---|
1029 | case 9: |
---|
1030 | ModifyGraph rgb($("aveint_"+num2str(ct)))=(36873,14755,58982) |
---|
1031 | break |
---|
1032 | endswitch |
---|
1033 | |
---|
1034 | NVAR doTraceOffset = root:Packages:NIST:SAS:gDoTraceOffset |
---|
1035 | NVAR offset = root:Packages:NIST:SAS:gModelOffsetFactor |
---|
1036 | if(doTraceOffset) |
---|
1037 | offset = 2^ct |
---|
1038 | //multiply by current offset (>=1) |
---|
1039 | Wave inten = $("aveint_"+num2str(ct)) |
---|
1040 | inten *= offset |
---|
1041 | // Print "new offset = ",offset |
---|
1042 | endif |
---|
1043 | |
---|
1044 | ct +=1 |
---|
1045 | SetDataFolder root: |
---|
1046 | |
---|
1047 | // create or append the configuration to a new notebook |
---|
1048 | if(WinType("Saved_Configurations")==0) |
---|
1049 | NewNotebook/F=1/N=Saved_Configurations /W=(480,400,880,725) |
---|
1050 | DoWindow/F SASCALC //return focus to SASCALC window |
---|
1051 | endif |
---|
1052 | //append the text |
---|
1053 | sprintf str,"\rConfiguration #%d\r",ct-1 |
---|
1054 | Notebook Saved_Configurations showRuler=0,defaultTab=20,selection={endOfFile, endOfFile} |
---|
1055 | Notebook Saved_Configurations font="Monaco",fSize=10,fstyle=1,text=str //bold |
---|
1056 | Notebook Saved_Configurations font="Monaco",fSize=10,fstyle=0,text=SetConfigurationText() |
---|
1057 | return(0) |
---|
1058 | End |
---|
1059 | |
---|
1060 | //clears the frozen traces on the graph, asks if you want to clear the saved text |
---|
1061 | // |
---|
1062 | Function S_ClearButtonProc(ctrlName) : ButtonControl |
---|
1063 | String ctrlName |
---|
1064 | |
---|
1065 | NVAR ct=root:Packages:NIST:SAS:gFreezeCount |
---|
1066 | Variable ii |
---|
1067 | Setdatafolder root:Packages:NIST:SAS |
---|
1068 | for(ii=ct-1;ii>=1;ii-=1) |
---|
1069 | //remove all traces, replace aveint |
---|
1070 | // kill all waves _ct |
---|
1071 | RemoveFromGraph $("aveint_"+num2str(ii)) |
---|
1072 | Killwaves/Z $("aveint_"+num2str(ii)),$("qval_"+num2str(ii)) |
---|
1073 | endfor |
---|
1074 | ct=1 |
---|
1075 | setdatafolder root: |
---|
1076 | |
---|
1077 | DoAlert 1,"Do you also want to clear the \"Saved Configurations\" text?" |
---|
1078 | if(V_flag == 1) // yes |
---|
1079 | DoWindow/K Saved_Configurations |
---|
1080 | endif |
---|
1081 | |
---|
1082 | //reset offset value |
---|
1083 | NVAR offset = root:Packages:NIST:SAS:gModelOffsetFactor |
---|
1084 | offset = 1 |
---|
1085 | ReCalculateInten(1) |
---|
1086 | return(0) |
---|
1087 | End |
---|
1088 | |
---|
1089 | |
---|
1090 | /////////////////////////////////////////////////////////// |
---|
1091 | // 19MAR07 uses correction for beamstop diameter projection to get shadow factor correct |
---|
1092 | // |
---|
1093 | Function S_CircularAverageTo1D(type) |
---|
1094 | String type |
---|
1095 | |
---|
1096 | Variable isCircular = 1 |
---|
1097 | |
---|
1098 | //type is the data type to do the averaging on, and will be set as the current folder |
---|
1099 | //get the current displayed data (so the correct folder is used) |
---|
1100 | String destPath = "root:Packages:NIST:"+type |
---|
1101 | |
---|
1102 | // |
---|
1103 | Variable xcenter,ycenter,x0,y0,sx,sx3,sy,sy3,dtsize,dtdist,dr,ddr |
---|
1104 | Variable lambda,trans |
---|
1105 | WAVE reals = $(destPath + ":RealsRead") |
---|
1106 | // WAVE/T textread = $(destPath + ":TextRead") |
---|
1107 | // String fileStr = textread[3] |
---|
1108 | |
---|
1109 | // center of detector, for non-linear corrections |
---|
1110 | Variable pixelsX=128,pixelsY=128 |
---|
1111 | |
---|
1112 | xcenter = pixelsX/2 + 0.5 // == 64.5 for 128x128 Ordela |
---|
1113 | ycenter = pixelsY/2 + 0.5 // == 64.5 for 128x128 Ordela |
---|
1114 | |
---|
1115 | // beam center, in pixels |
---|
1116 | x0 = reals[16] |
---|
1117 | y0 = reals[17] |
---|
1118 | //detector calibration constants |
---|
1119 | sx = reals[10] //mm/pixel (x) |
---|
1120 | sx3 = reals[11] //nonlinear coeff |
---|
1121 | sy = reals[13] //mm/pixel (y) |
---|
1122 | sy3 = reals[14] //nonlinear coeff |
---|
1123 | |
---|
1124 | dtsize = 10*reals[20] //det size in mm |
---|
1125 | dtdist = 1000*reals[18] // det distance in mm |
---|
1126 | |
---|
1127 | NVAR binWidth=root:Packages:NIST:gBinWidth |
---|
1128 | // Variable binWidth = 1 |
---|
1129 | |
---|
1130 | dr = binWidth // ***********annulus width set by user, default is one*********** |
---|
1131 | ddr = dr*sx //step size, in mm (this value should be passed to the resolution calculation, not dr 18NOV03) |
---|
1132 | |
---|
1133 | Variable rcentr,large_num,small_num,dtdis2,nq,xoffst,dxbm,dybm,ii |
---|
1134 | Variable phi_rad,dphi_rad,phi_x,phi_y |
---|
1135 | Variable forward,mirror |
---|
1136 | |
---|
1137 | String side = "both" |
---|
1138 | // side = StringByKey("SIDE",keyListStr,"=",";") |
---|
1139 | // Print "side = ",side |
---|
1140 | |
---|
1141 | /// data wave is data in the current folder which was set at the top of the function |
---|
1142 | WAVE data=$(destPath + ":data") |
---|
1143 | |
---|
1144 | // fake mask that uses all of the detector |
---|
1145 | Make/D/O/N=(pixelsX,pixelsY) $(destPath + ":mask") |
---|
1146 | Wave mask = $(destPath + ":mask") |
---|
1147 | mask = 0 |
---|
1148 | //three pixels all around |
---|
1149 | mask[0,2][] = 1 |
---|
1150 | mask[125,127][] = 1 |
---|
1151 | mask[][0,2] = 1 |
---|
1152 | mask[][125,127] = 1 |
---|
1153 | // |
---|
1154 | //pixels within rcentr of beam center are broken into 9 parts (units of mm) |
---|
1155 | rcentr = 100 //original |
---|
1156 | // rcentr = 0 |
---|
1157 | // values for error if unable to estimate value |
---|
1158 | //large_num = 1e10 |
---|
1159 | large_num = 1 //1e10 value (typically sig of last data point) plots poorly, arb set to 1 |
---|
1160 | small_num = 1e-10 |
---|
1161 | |
---|
1162 | // output wave are expected to exist (?) initialized to zero, what length? |
---|
1163 | // 200 points on VAX --- use 300 here, or more if SAXS data is used with 1024x1024 detector (1000 pts seems good) |
---|
1164 | Variable defWavePts=500 |
---|
1165 | Make/O/D/N=(defWavePts) $(destPath + ":qval"),$(destPath + ":aveint") |
---|
1166 | Make/O/D/N=(defWavePts) $(destPath + ":ncells"),$(destPath + ":dsq"),$(destPath + ":sigave") |
---|
1167 | Make/O/D/N=(defWavePts) $(destPath + ":SigmaQ"),$(destPath + ":fSubS"),$(destPath + ":QBar") |
---|
1168 | |
---|
1169 | WAVE qval = $(destPath + ":qval") |
---|
1170 | WAVE aveint = $(destPath + ":aveint") |
---|
1171 | WAVE ncells = $(destPath + ":ncells") |
---|
1172 | WAVE dsq = $(destPath + ":dsq") |
---|
1173 | WAVE sigave = $(destPath + ":sigave") |
---|
1174 | WAVE qbar = $(destPath + ":QBar") |
---|
1175 | WAVE sigmaq = $(destPath + ":SigmaQ") |
---|
1176 | WAVE fsubs = $(destPath + ":fSubS") |
---|
1177 | |
---|
1178 | qval = 0 |
---|
1179 | aveint = 0 |
---|
1180 | ncells = 0 |
---|
1181 | dsq = 0 |
---|
1182 | sigave = 0 |
---|
1183 | qbar = 0 |
---|
1184 | sigmaq = 0 |
---|
1185 | fsubs = 0 |
---|
1186 | |
---|
1187 | dtdis2 = dtdist^2 |
---|
1188 | nq = 1 |
---|
1189 | xoffst=0 |
---|
1190 | //distance of beam center from detector center |
---|
1191 | dxbm = S_FX(x0,sx3,xcenter,sx) |
---|
1192 | dybm = S_FY(y0,sy3,ycenter,sy) |
---|
1193 | |
---|
1194 | //BEGIN AVERAGE ********** |
---|
1195 | Variable xi,dxi,dx,jj,data_pixel,yj,dyj,dy,mask_val=0.1 |
---|
1196 | Variable dr2,nd,fd,nd2,ll,kk,dxx,dyy,ir,dphi_p |
---|
1197 | |
---|
1198 | // IGOR arrays are indexed from [0][0], FORTAN from (1,1) (and the detector too) |
---|
1199 | // loop index corresponds to FORTRAN (old code) |
---|
1200 | // and the IGOR array indices must be adjusted (-1) to the correct address |
---|
1201 | ii=1 |
---|
1202 | do |
---|
1203 | xi = ii |
---|
1204 | dxi = S_FX(xi,sx3,xcenter,sx) |
---|
1205 | dx = dxi-dxbm //dx and dy are in mm |
---|
1206 | |
---|
1207 | jj = 1 |
---|
1208 | do |
---|
1209 | data_pixel = data[ii-1][jj-1] //assign to local variable |
---|
1210 | yj = jj |
---|
1211 | dyj = S_FY(yj,sy3,ycenter,sy) |
---|
1212 | dy = dyj - dybm |
---|
1213 | if(!(mask[ii-1][jj-1])) //masked pixels = 1, skip if masked (this way works...) |
---|
1214 | dr2 = (dx^2 + dy^2)^(0.5) //distance from beam center NOTE dr2 used here - dr used above |
---|
1215 | if(dr2>rcentr) //keep pixel whole |
---|
1216 | nd = 1 |
---|
1217 | fd = 1 |
---|
1218 | else //break pixel into 9 equal parts |
---|
1219 | nd = 3 |
---|
1220 | fd = 2 |
---|
1221 | endif |
---|
1222 | nd2 = nd^2 |
---|
1223 | ll = 1 //"el-el" loop index |
---|
1224 | do |
---|
1225 | dxx = dx + (ll - fd)*sx/3 |
---|
1226 | kk = 1 |
---|
1227 | do |
---|
1228 | dyy = dy + (kk - fd)*sy/3 |
---|
1229 | if(isCircular) |
---|
1230 | //circular average, use all pixels |
---|
1231 | //(increment) |
---|
1232 | nq = S_IncrementPixel(data_pixel,ddr,dxx,dyy,aveint,dsq,ncells,nq,nd2) |
---|
1233 | else |
---|
1234 | //a sector average - determine azimuthal angle |
---|
1235 | dphi_p = S_dphi_pixel(dxx,dyy,phi_x,phi_y) |
---|
1236 | if(dphi_p < dphi_rad) |
---|
1237 | forward = 1 //within forward sector |
---|
1238 | else |
---|
1239 | forward = 0 |
---|
1240 | Endif |
---|
1241 | if((Pi - dphi_p) < dphi_rad) |
---|
1242 | mirror = 1 //within mirror sector |
---|
1243 | else |
---|
1244 | mirror = 0 |
---|
1245 | Endif |
---|
1246 | //check if pixel lies within allowed sector(s) |
---|
1247 | if(cmpstr(side,"both")==0) //both sectors |
---|
1248 | if ( mirror || forward) |
---|
1249 | //increment |
---|
1250 | nq = S_IncrementPixel(data_pixel,ddr,dxx,dyy,aveint,dsq,ncells,nq,nd2) |
---|
1251 | Endif |
---|
1252 | else |
---|
1253 | if(cmpstr(side,"right")==0) //forward sector only |
---|
1254 | if(forward) |
---|
1255 | //increment |
---|
1256 | nq = S_IncrementPixel(data_pixel,ddr,dxx,dyy,aveint,dsq,ncells,nq,nd2) |
---|
1257 | Endif |
---|
1258 | else //mirror sector only |
---|
1259 | if(mirror) |
---|
1260 | //increment |
---|
1261 | nq = S_IncrementPixel(data_pixel,ddr,dxx,dyy,aveint,dsq,ncells,nq,nd2) |
---|
1262 | Endif |
---|
1263 | Endif |
---|
1264 | Endif //allowable sectors |
---|
1265 | Endif //circular or sector check |
---|
1266 | kk+=1 |
---|
1267 | while(kk<=nd) |
---|
1268 | ll += 1 |
---|
1269 | while(ll<=nd) |
---|
1270 | Endif //masked pixel check |
---|
1271 | jj += 1 |
---|
1272 | while (jj<=pixelsY) |
---|
1273 | ii += 1 |
---|
1274 | while(ii<=pixelsX) //end of the averaging |
---|
1275 | |
---|
1276 | //compute q-values and errors |
---|
1277 | Variable ntotal,rr,theta,avesq,aveisq,var |
---|
1278 | |
---|
1279 | lambda = reals[26] |
---|
1280 | ntotal = 0 |
---|
1281 | kk = 1 |
---|
1282 | do |
---|
1283 | rr = (2*kk-1)*ddr/2 |
---|
1284 | theta = 0.5*atan(rr/dtdist) |
---|
1285 | qval[kk-1] = (4*Pi/lambda)*sin(theta) |
---|
1286 | if(ncells[kk-1] == 0) |
---|
1287 | //no pixels in annuli, data unknown |
---|
1288 | aveint[kk-1] = 0 |
---|
1289 | sigave[kk-1] = large_num |
---|
1290 | else |
---|
1291 | if(ncells[kk-1] <= 1) |
---|
1292 | //need more than one pixel to determine error |
---|
1293 | aveint[kk-1] = aveint[kk-1]/ncells[kk-1] |
---|
1294 | sigave[kk-1] = large_num |
---|
1295 | else |
---|
1296 | //assume that the intensity in each pixel in annuli is normally |
---|
1297 | // distributed about mean... |
---|
1298 | aveint[kk-1] = aveint[kk-1]/ncells[kk-1] |
---|
1299 | avesq = aveint[kk-1]^2 |
---|
1300 | aveisq = dsq[kk-1]/ncells[kk-1] |
---|
1301 | var = aveisq-avesq |
---|
1302 | if(var<=0) |
---|
1303 | sigave[kk-1] = small_num |
---|
1304 | else |
---|
1305 | sigave[kk-1] = sqrt(var/(ncells[kk-1] - 1)) |
---|
1306 | endif |
---|
1307 | endif |
---|
1308 | endif |
---|
1309 | ntotal += ncells[kk-1] |
---|
1310 | kk+=1 |
---|
1311 | while(kk<=nq) |
---|
1312 | |
---|
1313 | //Print "NQ = ",nq |
---|
1314 | // data waves were defined as 300 points (=defWavePts), but now have less than that (nq) points |
---|
1315 | // use DeletePoints to remove junk from end of waves |
---|
1316 | //WaveStats would be a more foolproof implementation, to get the # points in the wave |
---|
1317 | Variable startElement,numElements |
---|
1318 | startElement = nq |
---|
1319 | numElements = defWavePts - startElement |
---|
1320 | DeletePoints startElement,numElements, qval,aveint,ncells,dsq,sigave |
---|
1321 | |
---|
1322 | //////////////end of VAX sector_ave() |
---|
1323 | |
---|
1324 | |
---|
1325 | |
---|
1326 | // *************************************************************** |
---|
1327 | // |
---|
1328 | // Do the extra 3 columns of resolution calculations starting here. |
---|
1329 | // |
---|
1330 | // *************************************************************** |
---|
1331 | |
---|
1332 | Variable L2 = reals[18] |
---|
1333 | Variable BS = reals[21] //this the diameter is stored in mm |
---|
1334 | // SRK - why was I using the projected diameter of the beam stop?? I added a step at the beginning of every recalculation |
---|
1335 | // of the intensity to get the right beamstop diameter into RealsRead... |
---|
1336 | // Variable BS = beamstopDiamProjection(1) * 10 //calculated projection in cm *10 = mm |
---|
1337 | Variable S1 = reals[23] |
---|
1338 | Variable S2 = reals[24] |
---|
1339 | Variable L1 = reals[25] |
---|
1340 | lambda = reals[26] |
---|
1341 | Variable lambdaWidth = reals[27] |
---|
1342 | |
---|
1343 | Variable DDet, apOff |
---|
1344 | //typical value for NG3 and NG7 - distance between sample aperture and sample in (cm) |
---|
1345 | apOff=5.0 |
---|
1346 | // hard wire value for Ordela detectors |
---|
1347 | DDet = 0.5 // resolution in cm |
---|
1348 | // String detStr=textRead[9] |
---|
1349 | // DDet = DetectorPixelResolution(fileStr,detStr) //needs detector type and beamline |
---|
1350 | |
---|
1351 | //Go from 0 to nq doing the calc for all three values at |
---|
1352 | //every Q value |
---|
1353 | |
---|
1354 | ii=0 |
---|
1355 | Variable ret1,ret2,ret3 |
---|
1356 | do |
---|
1357 | S_getResolution(qval[ii],lambda,lambdaWidth,DDet,apOff,S1,S2,L1,L2,BS,ddr,ret1,ret2,ret3) |
---|
1358 | sigmaq[ii] = ret1 //res_wave[0] |
---|
1359 | qbar[ii] = ret2 //res_wave[1] |
---|
1360 | fsubs[ii] = ret3 //res_wave[2] |
---|
1361 | ii+=1 |
---|
1362 | while(ii<nq) |
---|
1363 | DeletePoints startElement,numElements, sigmaq, qbar, fsubs |
---|
1364 | |
---|
1365 | fsubs += 1e-8 //keep the values from being too small |
---|
1366 | |
---|
1367 | // End of resolution calculations |
---|
1368 | // *************************************************************** |
---|
1369 | |
---|
1370 | //get rid of the default mask, if one was created (it is in the current folder) |
---|
1371 | //don't just kill "mask" since it might be pointing to the one in the MSK folder |
---|
1372 | Killwaves/Z $(destPath+":mask") |
---|
1373 | |
---|
1374 | //return to root folder (redundant) |
---|
1375 | SetDataFolder root: |
---|
1376 | |
---|
1377 | Return 0 |
---|
1378 | End |
---|
1379 | |
---|
1380 | //returns nq, new number of q-values |
---|
1381 | //arrays aveint,dsq,ncells are also changed by this function |
---|
1382 | // |
---|
1383 | Function S_IncrementPixel(dataPixel,ddr,dxx,dyy,aveint,dsq,ncells,nq,nd2) |
---|
1384 | Variable dataPixel,ddr,dxx,dyy |
---|
1385 | Wave aveint,dsq,ncells |
---|
1386 | Variable nq,nd2 |
---|
1387 | |
---|
1388 | Variable ir |
---|
1389 | |
---|
1390 | ir = trunc(sqrt(dxx*dxx+dyy*dyy)/ddr)+1 |
---|
1391 | if (ir>nq) |
---|
1392 | nq = ir //resets maximum number of q-values |
---|
1393 | endif |
---|
1394 | aveint[ir-1] += dataPixel/nd2 //ir-1 must be used, since ir is physical |
---|
1395 | dsq[ir-1] += dataPixel*dataPixel/nd2 |
---|
1396 | ncells[ir-1] += 1/nd2 |
---|
1397 | |
---|
1398 | Return nq |
---|
1399 | End |
---|
1400 | |
---|
1401 | //function determines azimuthal angle dphi that a vector connecting |
---|
1402 | //center of detector to pixel makes with respect to vector |
---|
1403 | //at chosen azimuthal angle phi -> [cos(phi),sin(phi)] = [phi_x,phi_y] |
---|
1404 | //dphi is always positive, varying from 0 to Pi |
---|
1405 | // |
---|
1406 | Function S_dphi_pixel(dxx,dyy,phi_x,phi_y) |
---|
1407 | Variable dxx,dyy,phi_x,phi_y |
---|
1408 | |
---|
1409 | Variable val,rr,dot_prod |
---|
1410 | |
---|
1411 | rr = sqrt(dxx^2 + dyy^2) |
---|
1412 | dot_prod = (dxx*phi_x + dyy*phi_y)/rr |
---|
1413 | //? correct for roundoff error? - is this necessary in IGOR, w/ double precision? |
---|
1414 | if(dot_prod > 1) |
---|
1415 | dot_prod =1 |
---|
1416 | Endif |
---|
1417 | if(dot_prod < -1) |
---|
1418 | dot_prod = -1 |
---|
1419 | Endif |
---|
1420 | |
---|
1421 | val = acos(dot_prod) |
---|
1422 | |
---|
1423 | return val |
---|
1424 | |
---|
1425 | End |
---|
1426 | |
---|
1427 | //calculates the x distance from the center of the detector, w/nonlinear corrections |
---|
1428 | // |
---|
1429 | Function S_FX(xx,sx3,xcenter,sx) |
---|
1430 | Variable xx,sx3,xcenter,sx |
---|
1431 | |
---|
1432 | Variable retval |
---|
1433 | |
---|
1434 | retval = sx3*tan((xx-xcenter)*sx/sx3) |
---|
1435 | Return retval |
---|
1436 | End |
---|
1437 | |
---|
1438 | //calculates the y distance from the center of the detector, w/nonlinear corrections |
---|
1439 | // |
---|
1440 | Function S_FY(yy,sy3,ycenter,sy) |
---|
1441 | Variable yy,sy3,ycenter,sy |
---|
1442 | |
---|
1443 | Variable retval |
---|
1444 | |
---|
1445 | retval = sy3*tan((yy-ycenter)*sy/sy3) |
---|
1446 | Return retval |
---|
1447 | End |
---|
1448 | |
---|
1449 | //********************** |
---|
1450 | // Resolution calculation - used by the averaging routines |
---|
1451 | // to calculate the resolution function at each q-value |
---|
1452 | // - the return value is not used |
---|
1453 | // |
---|
1454 | // equivalent to John's routine on the VAX Q_SIGMA_AVE.FOR |
---|
1455 | // Incorporates eqn. 3-15 from J. Appl. Cryst. (1995) v. 28 p105-114 |
---|
1456 | // |
---|
1457 | Function/S S_getResolution(inQ,lambda,lambdaWidth,DDet,apOff,S1,S2,L1,L2,BS,del_r,SigmaQ,QBar,fSubS) |
---|
1458 | Variable inQ, lambda, lambdaWidth, DDet, apOff, S1, S2, L1, L2, BS, del_r |
---|
1459 | Variable &fSubS, &QBar, &SigmaQ //these are the output quantities at the input Q value |
---|
1460 | |
---|
1461 | //lots of calculation variables |
---|
1462 | Variable a2, q_small, lp, v_lambda, v_b, v_d, vz, yg, v_g |
---|
1463 | Variable r0, delta, inc_gamma, fr, fv, rmd, v_r1, rm, v_r |
---|
1464 | |
---|
1465 | //Constants |
---|
1466 | //Variable del_r = .1 |
---|
1467 | Variable vz_1 = 3.956e5 //velocity [cm/s] of 1 A neutron |
---|
1468 | Variable g = 981.0 //gravity acceleration [cm/s^2] |
---|
1469 | |
---|
1470 | String results |
---|
1471 | results ="Failure" |
---|
1472 | |
---|
1473 | NVAR usingLenses = root:Packages:NIST:SAS:gUsingLenses |
---|
1474 | |
---|
1475 | //rename for working variables, these must be gotten from global |
---|
1476 | //variables |
---|
1477 | |
---|
1478 | // Variable wLam, wLW, wL1, wL2, wS1, wS2 |
---|
1479 | // Variable wBS, wDDet, wApOff |
---|
1480 | // wLam = lambda |
---|
1481 | // wLW = lambdaWidth |
---|
1482 | // wDDet = DDet |
---|
1483 | // wApOff = apOff |
---|
1484 | S1 *= 0.5*0.1 //convert to radius and [cm] |
---|
1485 | S2 *= 0.5*0.1 |
---|
1486 | |
---|
1487 | L1 *= 100.0 // [cm] |
---|
1488 | L1 -= apOff //correct the distance |
---|
1489 | |
---|
1490 | L2 *= 100.0 |
---|
1491 | L2 += apOff |
---|
1492 | |
---|
1493 | BS *= 0.5*0.1 //convert to radius and [cm] |
---|
1494 | del_r *= 0.1 //width of annulus, convert mm to [cm] |
---|
1495 | |
---|
1496 | //Start resolution calculation |
---|
1497 | a2 = S1*L2/L1 + S2*(L1+L2)/L1 |
---|
1498 | q_small = 2.0*Pi*(BS-a2)*(1.0-lambdaWidth)/(lambda*L2) |
---|
1499 | lp = 1.0/( 1.0/L1 + 1.0/L2) |
---|
1500 | |
---|
1501 | v_lambda = lambdaWidth^2/6.0 |
---|
1502 | |
---|
1503 | if(usingLenses==1) //SRK 2007 |
---|
1504 | v_b = 0.25*(S1*L2/L1)^2 +0.25*(2/3)*(lambdaWidth/lambda)^2*(S2*L2/lp)^2 //correction to 2nd term |
---|
1505 | else |
---|
1506 | v_b = 0.25*(S1*L2/L1)^2 +0.25*(S2*L2/lp)^2 //original form |
---|
1507 | endif |
---|
1508 | |
---|
1509 | v_d = (DDet/2.3548)^2 + del_r^2/12.0 |
---|
1510 | vz = vz_1 / lambda |
---|
1511 | yg = 0.5*g*L2*(L1+L2)/vz^2 |
---|
1512 | v_g = 2.0*(2.0*yg^2*v_lambda) //factor of 2 correction, B. Hammouda, 2007 |
---|
1513 | |
---|
1514 | r0 = L2*tan(2.0*asin(lambda*inQ/(4.0*Pi) )) |
---|
1515 | delta = 0.5*(BS - r0)^2/v_d |
---|
1516 | |
---|
1517 | if (r0 < BS) |
---|
1518 | inc_gamma=exp(gammln(1.5))*(1-gammp(1.5,delta)) |
---|
1519 | else |
---|
1520 | inc_gamma=exp(gammln(1.5))*(1+gammp(1.5,delta)) |
---|
1521 | endif |
---|
1522 | |
---|
1523 | fSubS = 0.5*(1.0+erf( (r0-BS)/sqrt(2.0*v_d) ) ) |
---|
1524 | if (fSubS <= 0.0) |
---|
1525 | fSubS = 1.e-10 |
---|
1526 | endif |
---|
1527 | fr = 1.0 + sqrt(v_d)*exp(-1.0*delta) /(r0*fSubS*sqrt(2.0*Pi)) |
---|
1528 | fv = inc_gamma/(fSubS*sqrt(Pi)) - r0^2*(fr-1.0)^2/v_d |
---|
1529 | |
---|
1530 | rmd = fr*r0 |
---|
1531 | v_r1 = v_b + fv*v_d +v_g |
---|
1532 | |
---|
1533 | rm = rmd + 0.5*v_r1/rmd |
---|
1534 | v_r = v_r1 - 0.5*(v_r1/rmd)^2 |
---|
1535 | if (v_r < 0.0) |
---|
1536 | v_r = 0.0 |
---|
1537 | endif |
---|
1538 | QBar = (4.0*Pi/lambda)*sin(0.5*atan(rm/L2)) |
---|
1539 | SigmaQ = QBar*sqrt(v_r/rmd^2 +v_lambda) |
---|
1540 | |
---|
1541 | results = "success" |
---|
1542 | Return results |
---|
1543 | End |
---|
1544 | |
---|
1545 | Function S_Debye(scale,rg,bkg,x) |
---|
1546 | Variable scale,rg,bkg |
---|
1547 | Variable x |
---|
1548 | |
---|
1549 | // variables are: |
---|
1550 | //[0] scale factor |
---|
1551 | //[1] radius of gyration [A] |
---|
1552 | //[2] background [cm-1] |
---|
1553 | |
---|
1554 | // calculates (scale*debye)+bkg |
---|
1555 | Variable Pq,qr2 |
---|
1556 | |
---|
1557 | qr2=(x*rg)^2 |
---|
1558 | Pq = 2*(exp(-(qr2))-1+qr2)/qr2^2 |
---|
1559 | |
---|
1560 | //scale |
---|
1561 | Pq *= scale |
---|
1562 | // then add in the background |
---|
1563 | return (Pq+bkg) |
---|
1564 | End |
---|
1565 | |
---|
1566 | |
---|
1567 | Function S_SphereForm(scale,radius,delrho,bkg,x) |
---|
1568 | Variable scale,radius,delrho,bkg |
---|
1569 | Variable x |
---|
1570 | |
---|
1571 | // variables are: |
---|
1572 | //[0] scale |
---|
1573 | //[1] radius (A) |
---|
1574 | //[2] delrho (A-2) |
---|
1575 | //[3] background (cm-1) |
---|
1576 | |
---|
1577 | // Variable scale,radius,delrho,bkg |
---|
1578 | // scale = w[0] |
---|
1579 | // radius = w[1] |
---|
1580 | // delrho = w[2] |
---|
1581 | // bkg = w[3] |
---|
1582 | |
---|
1583 | |
---|
1584 | // calculates scale * f^2/Vol where f=Vol*3*delrho*((sin(qr)-qrcos(qr))/qr^3 |
---|
1585 | // and is rescaled to give [=] cm^-1 |
---|
1586 | |
---|
1587 | Variable bes,f,vol,f2 |
---|
1588 | // |
---|
1589 | //handle q==0 separately |
---|
1590 | If(x==0) |
---|
1591 | f = 4/3*pi*radius^3*delrho*delrho*scale*1e8 + bkg |
---|
1592 | return(f) |
---|
1593 | Endif |
---|
1594 | |
---|
1595 | bes = 3*(sin(x*radius)-x*radius*cos(x*radius))/x^3/radius^3 |
---|
1596 | vol = 4*pi/3*radius^3 |
---|
1597 | f = vol*bes*delrho // [=] A |
---|
1598 | // normalize to single particle volume, convert to 1/cm |
---|
1599 | f2 = f * f / vol * 1.0e8 // [=] 1/cm |
---|
1600 | |
---|
1601 | return (scale*f2+bkg) // Scale, then add in the background |
---|
1602 | |
---|
1603 | End |
---|
1604 | |
---|
1605 | Function/S SetConfigurationText() |
---|
1606 | |
---|
1607 | String str="",temp |
---|
1608 | |
---|
1609 | SetDataFolder root:Packages:NIST:SAS |
---|
1610 | |
---|
1611 | NVAR numberOfGuides=gNg |
---|
1612 | NVAR gTable=gTable //2=chamber, 1=table |
---|
1613 | NVAR wavelength=gLambda |
---|
1614 | NVAR lambdaWidth=gDeltaLambda |
---|
1615 | NVAR instrument = instrument |
---|
1616 | NVAR L2diff = L2diff |
---|
1617 | NVAR lens = root:Packages:NIST:SAS:gUsingLenses |
---|
1618 | SVAR aStr = root:myGlobals:gAngstStr |
---|
1619 | |
---|
1620 | sprintf temp,"Source Aperture Diameter =\t\t%6.2f cm\r",sourceApertureDiam() |
---|
1621 | str += temp |
---|
1622 | sprintf temp,"Source to Sample =\t\t\t\t%6.0f cm\r",sourceToSampleDist() |
---|
1623 | str += temp |
---|
1624 | sprintf temp,"Sample Aperture to Detector =\t%6.0f cm\r",sampleToDetectorDist() + L2diff |
---|
1625 | str += temp |
---|
1626 | sprintf temp,"Beam diameter =\t\t\t\t\t%6.2f cm\r",beamDiameter("maximum") |
---|
1627 | str += temp |
---|
1628 | sprintf temp,"Beamstop diameter =\t\t\t\t%6.2f inches\r",beamstopDiam()/2.54 |
---|
1629 | str += temp |
---|
1630 | sprintf temp,"Minimum Q-value =\t\t\t\t%6.4f 1/%s (sigQ/Q = %3.1f %%)\r",qMin(),aStr,deltaQ(qMin()) |
---|
1631 | str += temp |
---|
1632 | sprintf temp,"Maximum Horizontal Q-value =\t%6.4f 1/%s\r",qMaxHoriz(),aStr |
---|
1633 | str += temp |
---|
1634 | sprintf temp,"Maximum Vertical Q-value =\t\t%6.4f 1/%s\r",qMaxVert(),aStr |
---|
1635 | str += temp |
---|
1636 | sprintf temp,"Maximum Q-value =\t\t\t\t%6.4f 1/%s (sigQ/Q = %3.1f %%)\r",qMaxCorner(),aStr,deltaQ(qMaxCorner()) |
---|
1637 | str += temp |
---|
1638 | sprintf temp,"Beam Intensity =\t\t\t\t%.0f counts/s\r",beamIntensity() |
---|
1639 | str += temp |
---|
1640 | sprintf temp,"Figure of Merit =\t\t\t\t%3.3g %s^2/s\r",figureOfMerit(),aStr |
---|
1641 | str += temp |
---|
1642 | sprintf temp,"Attenuator transmission =\t\t%3.3g = Atten # %d\r",attenuatorTransmission(),attenuatorNumber() |
---|
1643 | str += temp |
---|
1644 | // |
---|
1645 | // // add text of the user-edited values |
---|
1646 | // // |
---|
1647 | sprintf temp,"***************** NG %d *****************\r",instrument |
---|
1648 | str += temp |
---|
1649 | sprintf temp,"Sample Aperture Diameter =\t\t\t\t%.2f cm\r",sampleApertureDiam() |
---|
1650 | str += temp |
---|
1651 | sprintf temp,"Number of Guides =\t\t\t\t\t\t%d \r", numberOfGuides |
---|
1652 | str += temp |
---|
1653 | sprintf temp,"Sample Chamber to Detector =\t\t\t%.1f cm\r", chamberToDetectorDist() |
---|
1654 | str += temp |
---|
1655 | if(gTable==1) |
---|
1656 | sprintf temp,"Sample Position is \t\t\t\t\t\tHuber\r" |
---|
1657 | else |
---|
1658 | sprintf temp,"Sample Position is \t\t\t\t\t\tChamber\r" |
---|
1659 | endif |
---|
1660 | str += temp |
---|
1661 | sprintf temp,"Detector Offset =\t\t\t\t\t\t%.1f cm\r", detectorOffset() |
---|
1662 | str += temp |
---|
1663 | sprintf temp,"Neutron Wavelength =\t\t\t\t\t%.2f %s\r", wavelength,aStr |
---|
1664 | str += temp |
---|
1665 | sprintf temp,"Wavelength Spread, FWHM =\t\t\t\t%.3f\r", lambdaWidth |
---|
1666 | str += temp |
---|
1667 | sprintf temp,"Sample Aperture to Sample Position =\t%.2f cm\r", L2Diff |
---|
1668 | str += temp |
---|
1669 | if(lens==1) |
---|
1670 | sprintf temp,"Lenses are IN\r" |
---|
1671 | else |
---|
1672 | sprintf temp,"Lenses are OUT\r" |
---|
1673 | endif |
---|
1674 | str += temp |
---|
1675 | |
---|
1676 | setDataFolder root: |
---|
1677 | return str |
---|
1678 | End |
---|
1679 | |
---|
1680 | Function DisplayConfigurationText() |
---|
1681 | |
---|
1682 | if(WinType("Trial_Configuration")==0) |
---|
1683 | NewNotebook/F=0/K=1/N=Trial_Configuration /W=(480,44,880,369) |
---|
1684 | endif |
---|
1685 | //replace the text |
---|
1686 | Notebook Trial_Configuration selection={startOfFile, endOfFile} |
---|
1687 | Notebook Trial_Configuration font="Monaco",fSize=10,text=SetConfigurationText() |
---|
1688 | return(0) |
---|
1689 | end |
---|
1690 | |
---|
1691 | //parses the control for A1 diam |
---|
1692 | // updates the wave |
---|
1693 | Function sourceApertureDiam() |
---|
1694 | ControlInfo/W=SASCALC popup0 |
---|
1695 | Variable diam |
---|
1696 | sscanf S_Value, "%g cm", diam |
---|
1697 | WAVE rw=root:Packages:NIST:SAS:realsRead |
---|
1698 | rw[23] = diam*10 //sample aperture diameter in mm |
---|
1699 | return(diam) |
---|
1700 | end |
---|
1701 | |
---|
1702 | // change the sample aperture to a non-standard value |
---|
1703 | Function SampleApOtherSetVarProc(ctrlName,varNum,varStr,varName) : SetVariableControl |
---|
1704 | String ctrlName |
---|
1705 | Variable varNum |
---|
1706 | String varStr |
---|
1707 | String varName |
---|
1708 | |
---|
1709 | WAVE rw=root:Packages:NIST:SAS:realsRead |
---|
1710 | rw[24] = varNum //sample aperture diameter in mm |
---|
1711 | ReCalculateInten(1) |
---|
1712 | return(0) |
---|
1713 | End |
---|
1714 | |
---|
1715 | //parses the control for A2 diam |
---|
1716 | // updates the wave and global |
---|
1717 | // returns a2 in cm |
---|
1718 | Function sampleApertureDiam() |
---|
1719 | ControlInfo/W=SASCALC popup0_1 |
---|
1720 | |
---|
1721 | // Print "In sampleApertureDiam()" |
---|
1722 | //set the global |
---|
1723 | NVAR a2=root:Packages:NIST:SAS:gSamAp |
---|
1724 | |
---|
1725 | if(cmpstr(S_Value,"other") == 0) // "other" selected |
---|
1726 | //enable the setvar, diameter in mm! |
---|
1727 | SetVariable setvar0_3 disable=0 |
---|
1728 | // read its value (a global) |
---|
1729 | NVAR a2other = root:Packages:NIST:SAS:gSamApOther |
---|
1730 | a2=a2other/10 //a2 in cm |
---|
1731 | else |
---|
1732 | SetVariable setvar0_3 disable=1 |
---|
1733 | //1st item is 1/16", popup steps by 1/16" |
---|
1734 | a2 = 2.54/16.0 * (V_Value) //convert to cm |
---|
1735 | endif |
---|
1736 | WAVE rw=root:Packages:NIST:SAS:realsRead |
---|
1737 | rw[24] = a2*10 //sample aperture diameter in mm |
---|
1738 | |
---|
1739 | return(a2) |
---|
1740 | end |
---|
1741 | |
---|
1742 | //1=huber 2=chamber |
---|
1743 | Function tableposition() |
---|
1744 | ControlInfo/W=SASCALC checkHuber |
---|
1745 | if(V_Value) |
---|
1746 | return(1) //huber |
---|
1747 | else |
---|
1748 | return(2) //chamber |
---|
1749 | endif |
---|
1750 | End |
---|
1751 | |
---|
1752 | //compute SSD and update both the global and the wave |
---|
1753 | // |
---|
1754 | Function sourceToSampleDist() |
---|
1755 | |
---|
1756 | NVAR NG=root:Packages:NIST:SAS:gNg |
---|
1757 | NVAR S12 = root:Packages:NIST:SAS:S12 |
---|
1758 | NVAR L2Diff = root:Packages:NIST:SAS:L2Diff |
---|
1759 | NVAR SSD = root:Packages:NIST:SAS:gSSD |
---|
1760 | |
---|
1761 | SSD = 1632 - 155*NG - s12*(2-tableposition()) - L2Diff |
---|
1762 | |
---|
1763 | WAVE rw=root:Packages:NIST:SAS:realsRead |
---|
1764 | rw[25] = SSD/100 // in meters |
---|
1765 | return(SSD) |
---|
1766 | End |
---|
1767 | |
---|
1768 | |
---|
1769 | // not part of SASCALC, but can be used to convert the SSD to number of guides |
---|
1770 | // |
---|
1771 | // SSD in meters |
---|
1772 | Function numGuides(SSD) |
---|
1773 | variable SSD |
---|
1774 | |
---|
1775 | Variable Ng |
---|
1776 | Ng = SSD*100 + 5 - 1632 |
---|
1777 | Ng /= -155 |
---|
1778 | |
---|
1779 | Ng = round(Ng) |
---|
1780 | return(Ng) |
---|
1781 | End |
---|
1782 | |
---|
1783 | |
---|
1784 | //returns the offset value |
---|
1785 | // slider and setVar are linked to the same global |
---|
1786 | // updates the wave and changes the beamcenter (x,y) in the wave |
---|
1787 | Function detectorOffset() |
---|
1788 | |
---|
1789 | WAVE rw=root:Packages:NIST:SAS:RealsRead |
---|
1790 | NVAR val = root:Packages:NIST:SAS:gOffset |
---|
1791 | rw[19] = val // already in cm |
---|
1792 | //move the beamcenter, make it an integer value for the MC simulation |
---|
1793 | rw[16] = 64 + round(2*rw[19]) //approximate beam X is 64 w/no offset, 114 w/25 cm offset |
---|
1794 | rw[17] = 64 //typical value |
---|
1795 | |
---|
1796 | return(val) |
---|
1797 | end |
---|
1798 | |
---|
1799 | //returns the detector distance (slider and setVar are linked by the global) |
---|
1800 | // |
---|
1801 | Function chamberToDetectorDist() |
---|
1802 | |
---|
1803 | NVAR val = root:Packages:NIST:SAS:gDetDist |
---|
1804 | return(val) |
---|
1805 | End |
---|
1806 | |
---|
1807 | //sets the SDD (slider and setVar are linked by the global and is the detector position |
---|
1808 | // relative to the chamber) |
---|
1809 | // updates the wave |
---|
1810 | Function sampleToDetectorDist() |
---|
1811 | |
---|
1812 | NVAR detDist = root:Packages:NIST:SAS:gDetDist |
---|
1813 | NVAR S12 = root:Packages:NIST:SAS:S12 |
---|
1814 | WAVE rw=root:Packages:NIST:SAS:RealsRead |
---|
1815 | Variable SDD |
---|
1816 | |
---|
1817 | SDD = detDist + s12*(2-tableposition()) |
---|
1818 | rw[18] = SDD/100 // convert to meters for header |
---|
1819 | return(SDD) |
---|
1820 | End |
---|
1821 | |
---|
1822 | //direction = one of "vertical;horizontal;maximum;" |
---|
1823 | // all of this is bypassed if the lenses are in |
---|
1824 | // |
---|
1825 | Function beamDiameter(direction) |
---|
1826 | String direction |
---|
1827 | |
---|
1828 | NVAR lens = root:Packages:NIST:SAS:gUsingLenses |
---|
1829 | if(lens) |
---|
1830 | return sourceApertureDiam() |
---|
1831 | endif |
---|
1832 | |
---|
1833 | Variable l1 = sourceToSampleDist() |
---|
1834 | Variable l2 //= sampleAperToDetDist() |
---|
1835 | Variable d1,d2,bh,bv,bm,umbra,a1,a2 |
---|
1836 | |
---|
1837 | NVAR L2diff = root:Packages:NIST:SAS:L2diff |
---|
1838 | NVAR lambda = root:Packages:NIST:SAS:gLambda |
---|
1839 | NVAR lambda_width = root:Packages:NIST:SAS:gDeltaLambda |
---|
1840 | NVAR bs_factor = root:Packages:NIST:SAS:bs_factor |
---|
1841 | |
---|
1842 | l2 = sampleToDetectorDist() + L2diff |
---|
1843 | a1 = sourceApertureDiam() |
---|
1844 | a2 = sampleApertureDiam() |
---|
1845 | |
---|
1846 | d1 = a1*l2/l1 |
---|
1847 | d2 = a2*(l1+l2)/l1 |
---|
1848 | bh = d1+d2 //beam size in horizontal direction |
---|
1849 | umbra = abs(d1-d2) |
---|
1850 | //vertical spreading due to gravity |
---|
1851 | bv = bh + 1.25e-8*(l1+l2)*l2*lambda*lambda*lambda_width |
---|
1852 | bm = (bs_factor*bh > bv) ? bs_factor*bh : bv //use the larger of horiz*safety or vertical |
---|
1853 | |
---|
1854 | strswitch(direction) // string switch |
---|
1855 | case "vertical": // execute if case matches expression |
---|
1856 | return(bv) |
---|
1857 | break // exit from switch |
---|
1858 | case "horizontal": // execute if case matches expression |
---|
1859 | return(bh) |
---|
1860 | break |
---|
1861 | case "maximum": // execute if case matches expression |
---|
1862 | return(bm) |
---|
1863 | break |
---|
1864 | default: // optional default expression executed |
---|
1865 | return(bm) // when no case matches |
---|
1866 | endswitch |
---|
1867 | End |
---|
1868 | |
---|
1869 | //on NG3 and NG7, allowable sizes are 1,2,3,4" diameter |
---|
1870 | //will return values larger than 4.0*2.54 if a larger beam is needed |
---|
1871 | // |
---|
1872 | // - in an approximate way, account for lenses |
---|
1873 | Function beamstopDiam() |
---|
1874 | |
---|
1875 | NVAR yesLens = root:Packages:NIST:SAS:gUsingLenses |
---|
1876 | Variable bm=0 |
---|
1877 | Variable bs=0.0 |
---|
1878 | |
---|
1879 | if(yesLens) |
---|
1880 | //bm = sourceApertureDiam() //ideal result, not needed |
---|
1881 | bs = 1 //force the diameter to 1" |
---|
1882 | else |
---|
1883 | bm = beamDiameter("maximum") |
---|
1884 | do |
---|
1885 | bs += 1 |
---|
1886 | while ( (bs*2.54 < bm) || (bs > 30.0)) //30 = ridiculous limit to avoid inf loop |
---|
1887 | endif |
---|
1888 | |
---|
1889 | //update the wave |
---|
1890 | WAVE rw=root:Packages:NIST:SAS:realsRead |
---|
1891 | rw[21] = bs*25.4 //store the BS diameter in mm |
---|
1892 | |
---|
1893 | return (bs*2.54) //return diameter in cm, not inches for txt |
---|
1894 | End |
---|
1895 | |
---|
1896 | //returns the projected diameter of the beamstop at the anode plane. |
---|
1897 | // most noticeable at short SDD |
---|
1898 | //if flag == 0 use conservative estimate = largest diameter (for SASCALC, default) |
---|
1899 | //if flag != 0 use point aperture = average diameter (for resolution calculation) |
---|
1900 | Function beamstopDiamProjection(flag) |
---|
1901 | Variable flag |
---|
1902 | |
---|
1903 | NVAR L2diff = root:Packages:NIST:SAS:L2diff |
---|
1904 | Variable a2 = sampleApertureDiam() |
---|
1905 | Variable bs = beamstopDiam() |
---|
1906 | Variable l2, LB, BS_P |
---|
1907 | |
---|
1908 | l2 = sampleToDetectorDist() + L2diff |
---|
1909 | LB = 20.1 + 1.61*BS //distance in cm from beamstop to anode plane (empirical) |
---|
1910 | if(flag==0) |
---|
1911 | BS_P = bs + (bs+a2)*lb/(l2-lb) //diameter of shadow from parallax |
---|
1912 | else |
---|
1913 | BS_P = bs + bs*lb/(l2-lb) //diameter of shadow, point A2 |
---|
1914 | endif |
---|
1915 | return (bs_p) //return projected diameter in cm |
---|
1916 | End |
---|
1917 | |
---|
1918 | // 19MAR07 - using correction from John for an estimate of the shadow of the beamstop |
---|
1919 | // at the detection plane. This is a noticeable effect at short SDD, where the projected |
---|
1920 | // diameter of the beamstop is much larger than the physical diameter. |
---|
1921 | Function qMin() |
---|
1922 | |
---|
1923 | Variable l2s = sampleToDetectorDist() //distance from sample to detector in cm |
---|
1924 | // Variable bs = beamstopDiam() //beamstop diameter in cm |
---|
1925 | Variable bs_p = beamstopDiamProjection(0) //projected beamstop diameter in cm |
---|
1926 | NVAR lambda = root:Packages:NIST:SAS:gLambda |
---|
1927 | NVAR d_det = root:Packages:NIST:SAS:d_det //cm |
---|
1928 | NVAR a_pixel = root:Packages:NIST:SAS:a_pixel //cm |
---|
1929 | |
---|
1930 | return( (pi/lambda)*(bs_p + d_det + a_pixel)/l2s ) //use bs_p rather than bs |
---|
1931 | // return( (pi/lambda)*(bs + d_det + a_pixel)/l2s ) //use bs (incorrect) |
---|
1932 | End |
---|
1933 | |
---|
1934 | Function qMaxVert() |
---|
1935 | |
---|
1936 | Variable theta |
---|
1937 | Variable l2s = sampleToDetectorDist() //distance from sample to detector |
---|
1938 | NVAR lambda = root:Packages:NIST:SAS:gLambda |
---|
1939 | NVAR det_width = root:Packages:NIST:SAS:det_width |
---|
1940 | |
---|
1941 | theta = atan( (det_width/2.0)/l2s ) |
---|
1942 | |
---|
1943 | return ( 4.0*pi/lambda * sin(theta/2.0) ) |
---|
1944 | end |
---|
1945 | |
---|
1946 | Function qMaxCorner() |
---|
1947 | |
---|
1948 | Variable l2s = sampleToDetectorDist() //distance from sample to detector |
---|
1949 | Variable radial |
---|
1950 | NVAR lambda = root:Packages:NIST:SAS:gLambda |
---|
1951 | NVAR det_off = root:Packages:NIST:SAS:gOffset |
---|
1952 | NVAR det_width = root:Packages:NIST:SAS:det_width |
---|
1953 | |
---|
1954 | radial=sqrt( (0.5*det_width)*(0.5*det_width)+(0.5*det_width+det_off)*(0.5*det_width+det_off) ) |
---|
1955 | |
---|
1956 | return ( 4*pi/lambda*sin(0.5*atan(radial/l2s)) ) |
---|
1957 | End |
---|
1958 | |
---|
1959 | Function qMaxHoriz() |
---|
1960 | |
---|
1961 | Variable theta |
---|
1962 | Variable l2s = sampleToDetectorDist() //distance from sample to detector |
---|
1963 | NVAR lambda = root:Packages:NIST:SAS:gLambda |
---|
1964 | NVAR det_off = root:Packages:NIST:SAS:gOffset |
---|
1965 | NVAR det_width = root:Packages:NIST:SAS:det_width |
---|
1966 | |
---|
1967 | theta = atan( ((det_width/2.0)+det_off)/l2s ) //from the instance variables |
---|
1968 | |
---|
1969 | return ( 4.0*pi/lambda * sin(theta/2.0) ) |
---|
1970 | End |
---|
1971 | |
---|
1972 | // calculate sigma for the resolution function at either limit of q-range |
---|
1973 | Function deltaQ(atQ) |
---|
1974 | Variable atQ |
---|
1975 | |
---|
1976 | Variable k02,lp,l1,l2,sig_02,sigQ2,a1,a2 |
---|
1977 | NVAR l2Diff = root:Packages:NIST:SAS:L2diff |
---|
1978 | NVAR lambda = root:Packages:NIST:SAS:gLambda |
---|
1979 | NVAR lambda_width = root:Packages:NIST:SAS:gDeltaLambda |
---|
1980 | NVAR d_det = root:Packages:NIST:SAS:d_det |
---|
1981 | NVAR del_r = root:Packages:NIST:SAS:del_r |
---|
1982 | |
---|
1983 | |
---|
1984 | l1 = sourceToSampleDist() |
---|
1985 | l2 = sampleToDetectorDist() + L2diff |
---|
1986 | a1 = sourceApertureDiam() |
---|
1987 | a2 = sampleApertureDiam() |
---|
1988 | |
---|
1989 | k02 = (6.2832/lambda)*(6.2832/lambda) |
---|
1990 | lp = 1/(1/l1 + 1/l2) |
---|
1991 | |
---|
1992 | sig_02 = (0.25*a1/l1)*(0.25*a1/l1) |
---|
1993 | sig_02 += (0.25*a2/lp)*(0.25*a2/lp) |
---|
1994 | sig_02 += (d_det/(2.355*l2))*(d_det/(2.355*l2)) |
---|
1995 | sig_02 += (del_r/l2)*(del_r/l2)/12 |
---|
1996 | sig_02 *= k02 |
---|
1997 | |
---|
1998 | sigQ2 = sig_02 + (atQ*lambda_width)*(atQ*lambda_width)/6 |
---|
1999 | |
---|
2000 | return(100*sqrt(sigQ2)/atQ) |
---|
2001 | End |
---|
2002 | |
---|
2003 | // updated with new flux numbers from John Barker |
---|
2004 | // NG3 - Feb 2009 |
---|
2005 | // NG7 - July 2009 |
---|
2006 | // |
---|
2007 | // guide loss has been changed to 0.95 rather than the old value of 0.95 |
---|
2008 | // |
---|
2009 | // other values are changed in the initialization routines |
---|
2010 | // |
---|
2011 | Function beamIntensity() |
---|
2012 | |
---|
2013 | Variable alpha,f,t,t4,t5,t6,as,solid_angle,l1,d2_phi |
---|
2014 | Variable a1,a2,retVal |
---|
2015 | SetDataFolder root:Packages:NIST:SAS |
---|
2016 | NVAR l_gap=l_gap,guide_width =guide_width,ng = gNg |
---|
2017 | NVAR lambda_t=lambda_t,b=b,c=c |
---|
2018 | NVAR lambda=gLambda,t1=t1,t2=t2,t3=t3,phi_0=phi_0 |
---|
2019 | NVAR lambda_width=gDeltaLambda |
---|
2020 | NVAR guide_loss=gGuide_loss |
---|
2021 | |
---|
2022 | l1 = sourceToSampleDist() |
---|
2023 | a1 = sourceApertureDiam() |
---|
2024 | a2 = sampleApertureDiam() |
---|
2025 | |
---|
2026 | |
---|
2027 | alpha = (a1+a2)/(2*l1) //angular divergence of beam |
---|
2028 | f = l_gap*alpha/(2*guide_width) |
---|
2029 | t4 = (1-f)*(1-f) |
---|
2030 | t5 = exp(ng*ln(guide_loss)) // trans losses of guides in pre-sample flight |
---|
2031 | t6 = 1 - lambda*(b-(ng/8)*(b-c)) //experimental correction factor |
---|
2032 | t = t1*t2*t3*t4*t5*t6 |
---|
2033 | |
---|
2034 | as = pi/4*a2*a2 //area of sample in the beam |
---|
2035 | d2_phi = phi_0/(2*pi) |
---|
2036 | d2_phi *= exp(4*ln(lambda_t/lambda)) |
---|
2037 | d2_phi *= exp(-1*(lambda_t*lambda_t/lambda/lambda)) |
---|
2038 | |
---|
2039 | solid_angle = pi/4* (a1/l1)*(a1/l1) |
---|
2040 | |
---|
2041 | retVal = as * d2_phi * lambda_width * solid_angle * t |
---|
2042 | SetDataFolder root: |
---|
2043 | return (retVal) |
---|
2044 | end |
---|
2045 | |
---|
2046 | Function figureOfMerit() |
---|
2047 | |
---|
2048 | Variable bi = beamIntensity() |
---|
2049 | NVAR lambda = root:Packages:NIST:SAS:gLambda |
---|
2050 | |
---|
2051 | return (lambda*lambda*bi) |
---|
2052 | End |
---|
2053 | |
---|
2054 | //estimate the number of pixels in the beam, and enforce the maximum countrate per pixel (idmax) |
---|
2055 | Function attenuatorTransmission() |
---|
2056 | |
---|
2057 | Variable num_pixels,i_pix //i_pix = id in John's notation |
---|
2058 | Variable bDiam = beamDiameter("horizontal") //!! note that prev calculations used bh (horizontal) |
---|
2059 | Variable atten,a2 |
---|
2060 | SetDataFolder root:Packages:NIST:SAS |
---|
2061 | NVAR a_pixel=a_pixel,idmax=idmax |
---|
2062 | |
---|
2063 | a2 = sampleApertureDiam() |
---|
2064 | |
---|
2065 | num_pixels = pi/4*(0.5*(a2+bDiam))*(0.5*(a2+bDiam))/a_pixel/a_pixel |
---|
2066 | i_pix = ( beamIntensity() )/num_pixels |
---|
2067 | |
---|
2068 | atten = (i_pix < idmax) ? 1.0 : idmax/i_pix |
---|
2069 | SetDataFolder root: |
---|
2070 | return(atten) |
---|
2071 | End |
---|
2072 | |
---|
2073 | Function attenuatorNumber() |
---|
2074 | |
---|
2075 | Variable atten = attenuatorTransmission() |
---|
2076 | Variable af,nf,numAtten |
---|
2077 | SetDataFolder root:Packages:NIST:SAS |
---|
2078 | NVAR lambda=gLambda |
---|
2079 | |
---|
2080 | af = 0.498 + 0.0792*lambda - 1.66e-3*lambda*lambda |
---|
2081 | nf = -ln(atten)/af //floating point |
---|
2082 | |
---|
2083 | numAtten = trunc(nf) + 1 //in c, (int)nf |
---|
2084 | //correct for larger step thickness at n > 6 |
---|
2085 | if(numAtten > 6) |
---|
2086 | numAtten = 7 + trunc( (numAtten-6)/2 ) //in c, numAtten = 7 + (int)( (numAtten-6)/2 ) |
---|
2087 | endif |
---|
2088 | |
---|
2089 | SetDatafolder root: |
---|
2090 | return (numAtten) |
---|
2091 | End |
---|