1 | #pragma rtGlobals=1 // Use modern global access method. |
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2 | #pragma IgorVersion = 6.0 |
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3 | |
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4 | |
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5 | //////////////////////////////////////////////// |
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6 | // this procedure is for the Teubner-Strey Model |
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7 | // |
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8 | // 06 NOV 98 SRK |
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9 | //////////////////////////////////////////////// |
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10 | |
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11 | Proc PlotTeubnerStreyModel(num,qmin,qmax) |
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12 | Variable num=128,qmin=0.001,qmax=0.7 |
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13 | Prompt num "Enter number of data points for model: " |
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14 | Prompt qmin "Enter minimum q-value (^-1) for model: " |
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15 | Prompt qmax "Enter maximum q-value (^-1) for model: " |
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16 | |
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17 | Make/O/D/n=(num) xwave_ts,ywave_ts |
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18 | xwave_ts = alog(log(qmin) + x*((log(qmax)-log(qmin))/num)) |
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19 | Make/O/D coef_ts = {0.1,-30,5000,0.1} |
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20 | make/o/t parameters_ts = {"scale (a2)","c1","c2","bkg"} |
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21 | Edit parameters_ts,coef_ts |
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22 | Variable/G root:g_ts |
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23 | g_ts := TeubnerStreyModel(coef_ts,ywave_ts,xwave_ts) |
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24 | // ywave_ts := TeubnerStreyModel(coef_ts,xwave_ts) |
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25 | Display ywave_ts vs xwave_ts |
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26 | ModifyGraph log=1,marker=29,msize=2,mode=4 |
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27 | Label bottom "q (\\S-1\\M)" |
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28 | Label left "Intensity (cm\\S-1\\M)" |
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29 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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30 | End |
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31 | |
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32 | /////////////////////////////////////////////////////////// |
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33 | |
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34 | // - sets up a dependency to a wrapper, not the actual SmearedModelFunction |
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35 | Proc PlotSmearedTeubnerStreyModel(str) |
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36 | String str |
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37 | Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) |
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38 | |
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39 | // if any of the resolution waves are missing => abort |
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40 | if(ResolutionWavesMissingDF(str)) //updated to NOT use global strings (in GaussUtils) |
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41 | Abort |
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42 | endif |
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43 | |
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44 | SetDataFolder $("root:"+str) |
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45 | |
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46 | // Setup parameter table for model function |
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47 | Make/O/D smear_coef_ts = {0.1,-30,5000,0.1} |
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48 | make/o/t smear_parameters_ts = {"scale (a2)","c1","c2","bkg"} |
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49 | Edit smear_parameters_ts,smear_coef_ts |
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50 | |
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51 | // output smeared intensity wave, dimensions are identical to experimental QSIG values |
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52 | // make extra copy of experimental q-values for easy plotting |
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53 | Duplicate/O $(str+"_q") smeared_ts,smeared_qvals |
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54 | SetScale d,0,0,"1/cm",smeared_ts |
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55 | |
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56 | Variable/G gs_ts=0 |
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57 | gs_ts := fSmearedTeubnerStreyModel(smear_coef_ts,smeared_ts,smeared_qvals) //this wrapper fills the STRUCT |
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58 | |
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59 | Display smeared_ts vs smeared_qvals |
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60 | ModifyGraph log=1,marker=29,msize=2,mode=4 |
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61 | Label bottom "q (\\S-1\\M)" |
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62 | Label left "Intensity (cm\\S-1\\M)" |
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63 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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64 | |
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65 | SetDataFolder root: |
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66 | End |
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67 | |
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68 | //AAO version |
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69 | Function TeubnerStreyModel(cw,yw,xw) : FitFunc |
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70 | Wave cw,yw,xw |
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71 | |
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72 | #if exists("TeubnerStreyModelX") |
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73 | yw = TeubnerStreyModelX(cw,xw) |
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74 | #else |
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75 | yw = fTeubnerStreyModel(cw,xw) |
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76 | #endif |
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77 | return(0) |
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78 | End |
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79 | |
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80 | /////////////////////////////////////////////////////////////// |
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81 | // unsmeared model calculation |
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82 | /////////////////////////// |
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83 | Function fTeubnerStreyModel(w,x) : FitFunc |
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84 | Wave w;Variable x |
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85 | |
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86 | //Varialbes are: |
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87 | //[0] scale factor a2 |
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88 | //[1] coeff c1 |
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89 | //[2] coeff c2 |
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90 | //[3] incoh. background |
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91 | |
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92 | Variable inten,q2,q4 |
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93 | |
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94 | q2 = x*x |
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95 | q4 = q2*q2 |
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96 | inten = 1.0/(w[0]+w[1]*q2+w[2]*q4) |
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97 | inten += w[3] |
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98 | |
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99 | return (inten) |
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100 | |
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101 | End |
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102 | |
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103 | Macro TeubnerStreyLengths() |
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104 | If(exists("coef_ts")!=1) //coefficients don't exist |
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105 | Abort "You must plot the Teubner-Strey model before calculating the lengths" |
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106 | Endif |
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107 | // calculate the correlation length and the repeat distance |
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108 | Variable a2,c1,c2,xi,dd |
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109 | a2 = coef_ts[0] |
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110 | c1 = coef_ts[1] |
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111 | c2 = coef_ts[2] |
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112 | |
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113 | xi = 0.5*sqrt(a2/c2) + c1/4/c2 |
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114 | xi = 1/sqrt(xi) |
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115 | |
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116 | dd = 0.5*sqrt(a2/c2) - c1/4/c2 |
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117 | dd = 1/sqrt(dd) |
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118 | dd *=2*Pi |
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119 | |
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120 | Printf "The correlation length (the dispersion of d) xi = %g A\r",xi |
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121 | Printf "The quasi-periodic repeat distance, d = %g A\r",dd |
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122 | |
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123 | End |
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124 | |
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125 | // this is all there is to the smeared calculation! |
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126 | Function SmearedTeubnerStreyModel(s) :FitFunc |
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127 | Struct ResSmearAAOStruct &s |
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128 | |
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129 | ////the name of your unsmeared model is the first argument |
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130 | s.yW = Smear_Model_20(TeubnerStreyModel,s.coefW,s.xW,s.resW) |
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131 | |
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132 | return(0) |
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133 | End |
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134 | |
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135 | //wrapper to calculate the smeared model as an AAO-Struct |
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136 | // fills the struct and calls the ususal function with the STRUCT parameter |
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137 | // |
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138 | // used only for the dependency, not for fitting |
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139 | // |
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140 | Function fSmearedTeubnerStreyModel(coefW,yW,xW) |
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141 | Wave coefW,yW,xW |
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142 | |
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143 | String str = getWavesDataFolder(yW,0) |
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144 | String DF="root:"+str+":" |
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145 | |
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146 | WAVE resW = $(DF+str+"_res") |
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147 | |
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148 | STRUCT ResSmearAAOStruct fs |
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149 | WAVE fs.coefW = coefW |
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150 | WAVE fs.yW = yW |
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151 | WAVE fs.xW = xW |
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152 | WAVE fs.resW = resW |
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153 | |
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154 | Variable err |
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155 | err = SmearedTeubnerStreyModel(fs) |
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156 | |
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157 | return (0) |
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158 | End |
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