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 | // empirical model to fit two power law regions. Model is a "v". No attempt is made to |
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6 | // smooth the transition at the crossover q-value. The two power law slopes are the important |
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7 | // results, not fudging some crossover function. |
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8 | // |
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9 | // JUN 2008 SRK |
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10 | |
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11 | ////////////////////////////////// |
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12 | Proc PlotTwoPowerLaw(num,qmin,qmax) |
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13 | Variable num=512, qmin=.001, qmax=.2 |
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14 | Prompt num "Enter number of data points for model: " |
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15 | Prompt qmin "Enter minimum q-value (^1) for model: " |
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16 | Prompt qmax "Enter maximum q-value (^1) for model: " |
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17 | // |
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18 | Make/O/D/n=(num) xwave_TwoPowerLaw, ywave_TwoPowerLaw |
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19 | xwave_TwoPowerLaw = alog(log(qmin) + x*((log(qmax)-log(qmin))/num)) |
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20 | Make/O/D coef_TwoPowerLaw = {1e-6, 4, 1, 0.01, 0} |
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21 | make/o/t parameters_TwoPowerLaw = {"Coefficient, A ", "(-)Low Q Power","(-) high Q Power","Crossover Qc (A-1)","Incoherent Bgd (cm-1)"} |
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22 | Edit parameters_TwoPowerLaw, coef_TwoPowerLaw |
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23 | Variable/G root:g_TwoPowerLaw |
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24 | g_TwoPowerLaw := TwoPowerLaw(coef_TwoPowerLaw, ywave_TwoPowerLaw, xwave_TwoPowerLaw) |
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25 | // ywave_TwoPowerLaw := TwoPowerLaw(coef_TwoPowerLaw, xwave_TwoPowerLaw) |
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26 | Display ywave_TwoPowerLaw vs xwave_TwoPowerLaw |
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27 | ModifyGraph marker=29, msize=2, mode=4 |
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28 | ModifyGraph log(left)=1 |
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29 | ModifyGraph log(bottom)=1 |
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30 | Label bottom "q (\\S-1\\M) " |
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31 | Label left "Power-Law (cm\\S-1\\M)" |
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32 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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33 | |
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34 | AddModelToStrings("TwoPowerLaw","coef_TwoPowerLaw","TwoPowerLaw") |
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35 | // |
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36 | End |
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37 | |
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38 | //////////////////////////////////////////////////// |
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39 | // - sets up a dependency to a wrapper, not the actual SmearedModelFunction |
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40 | Proc PlotSmearedTwoPowerLaw(str) |
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41 | String str |
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42 | Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) |
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43 | |
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44 | // if any of the resolution waves are missing => abort |
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45 | if(ResolutionWavesMissingDF(str)) //updated to NOT use global strings (in GaussUtils) |
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46 | Abort |
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47 | endif |
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48 | |
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49 | SetDataFolder $("root:"+str) |
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50 | |
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51 | // Setup parameter table for model function |
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52 | Make/O/D smear_coef_TwoPowerLaw = {1e-6, 4, 1, 0.01, 0} |
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53 | make/o/t smear_parameters_TwoPowerLaw = {"Coefficient, A ", "(-)Low Q Power","(-) high Q Power","Crossover Qc (A-1)","Incoherent Bgd (cm-1)"} |
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54 | Edit smear_parameters_TwoPowerLaw,smear_coef_TwoPowerLaw //display parameters in a table |
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55 | |
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56 | // output smeared intensity wave, dimensions are identical to experimental QSIG values |
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57 | // make extra copy of experimental q-values for easy plotting |
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58 | Duplicate/O $(str+"_q") smeared_TwoPowerLaw,smeared_qvals // |
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59 | SetScale d,0,0,"1/cm",smeared_TwoPowerLaw // |
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60 | |
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61 | |
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62 | Variable/G gs_TwoPowerLaw=0 |
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63 | gs_TwoPowerLaw := fSmearedTwoPowerLaw(smear_coef_TwoPowerLaw,smeared_TwoPowerLaw,smeared_qvals) //this wrapper fills the STRUCT |
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64 | |
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65 | Display smeared_TwoPowerLaw vs smeared_qvals // |
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66 | ModifyGraph log=1,marker=29,msize=2,mode=4 |
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67 | Label bottom "q (\\S-1\\M)" |
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68 | Label left "TwoPowerLaw (cm\\S-1\\M)" |
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69 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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70 | |
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71 | SetDataFolder root: |
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72 | AddModelToStrings("SmearedTwoPowerLaw","smear_coef_TwoPowerLaw","TwoPowerLaw") |
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73 | // |
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74 | End // end macro PlotSmearedTwoPowerLaw |
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75 | |
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76 | //AAO version |
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77 | Function TwoPowerLaw(cw,yw,xw) : FitFunc |
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78 | Wave cw,yw,xw |
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79 | |
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80 | #if exists("TwoPowerLawX") |
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81 | yw = TwoPowerLawX(cw,xw) |
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82 | #else |
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83 | yw = fTwoPowerLaw(cw,xw) |
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84 | #endif |
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85 | return(0) |
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86 | End |
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87 | |
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88 | Function fTwoPowerLaw(w,x) : FitFunc |
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89 | Wave w |
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90 | Variable x |
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91 | // Input (fitting) variables are: |
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92 | //[0] Coefficient |
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93 | //[1] (-) Power @ low Q |
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94 | //[2] (-) Power @ high Q |
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95 | //[3] crossover Q-value |
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96 | //[4] incoherent background |
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97 | // give them nice names |
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98 | Variable A, m1,m2,qc,bgd,scale |
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99 | A = w[0] |
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100 | m1 = w[1] |
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101 | m2 = w[2] |
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102 | qc = w[3] |
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103 | bgd = w[4] |
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104 | |
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105 | // local variables |
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106 | Variable inten, qval |
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107 | // x is the q-value for the calculation |
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108 | qval = x |
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109 | // do the calculation and return the function value |
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110 | |
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111 | if(qval<=qc) |
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112 | inten = A*qval^-m1 |
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113 | else |
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114 | scale = A*qc^-m1 / qc^-m2 |
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115 | inten = scale*qval^-m2 |
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116 | endif |
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117 | |
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118 | inten += bgd |
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119 | Return (inten) |
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120 | End |
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121 | ///////////////////////////////////////////////////////////////////////////////// |
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122 | |
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123 | |
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124 | // this is all there is to the smeared calculation! |
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125 | Function SmearedTwoPowerLaw(s) :FitFunc |
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126 | Struct ResSmearAAOStruct &s |
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127 | |
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128 | ////the name of your unsmeared model is the first argument |
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129 | Smear_Model_20(TwoPowerLaw,s.coefW,s.xW,s.yW,s.resW) |
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130 | |
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131 | return(0) |
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132 | End |
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133 | |
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134 | //wrapper to calculate the smeared model as an AAO-Struct |
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135 | // fills the struct and calls the ususal function with the STRUCT parameter |
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136 | // |
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137 | // used only for the dependency, not for fitting |
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138 | // |
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139 | Function fSmearedTwoPowerLaw(coefW,yW,xW) |
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140 | Wave coefW,yW,xW |
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141 | |
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142 | String str = getWavesDataFolder(yW,0) |
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143 | String DF="root:"+str+":" |
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144 | |
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145 | WAVE resW = $(DF+str+"_res") |
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146 | |
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147 | STRUCT ResSmearAAOStruct fs |
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148 | WAVE fs.coefW = coefW |
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149 | WAVE fs.yW = yW |
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150 | WAVE fs.xW = xW |
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151 | WAVE fs.resW = resW |
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152 | |
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153 | Variable err |
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154 | err = SmearedTwoPowerLaw(fs) |
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155 | |
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156 | return (0) |
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157 | End |
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