| 1 | #pragma rtGlobals=1 // Use modern global access method. |
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| 2 | //////////////////////////////////////////////////// |
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| 3 | // J. Barker, 2-10-99 |
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| 4 | ////////////////// |
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| 5 | Proc PlotPeak_Gauss(num,qmin,qmax) |
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| 6 | Variable num=512, qmin=.001, qmax=.7 |
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| 7 | Prompt num "Enter number of data points for model: " |
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| 8 | Prompt qmin "Enter minimum q-value (^1) for model: " |
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| 9 | Prompt qmax "Enter maximum q-value (^1) for model: " |
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| 10 | // |
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| 11 | Make/O/D/n=(num) xwave_Peak_Gauss, ywave_Peak_Gauss |
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| 12 | xwave_Peak_Gauss = alog(log(qmin) + x*((log(qmax)-log(qmin))/num)) |
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| 13 | Make/O/D coef_Peak_Gauss = {100.0, 0.05,0.005, 1.0} |
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| 14 | make/o/t parameters_Peak_Gauss = {"Scale Factor, I0 ", "Peak position (^-1)", "Std Dev (^-1)","Incoherent Bgd (cm-1)"} |
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| 15 | Edit parameters_Peak_Gauss, coef_Peak_Gauss |
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| 16 | ywave_Peak_Gauss := Peak_Gauss_Model(coef_Peak_Gauss, xwave_Peak_Gauss) |
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| 17 | Display ywave_Peak_Gauss vs xwave_Peak_Gauss |
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| 18 | ModifyGraph marker=29, msize=2, mode=4 |
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| 19 | ModifyGraph log(left)=1 |
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| 20 | Label bottom "q (\\S-1\\M) " |
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| 21 | Label left "Peak - Gauss (cm\\S-1\\M)" |
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| 22 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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| 23 | // |
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| 24 | End |
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| 25 | //////////////////////////////////////////////////// |
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| 26 | Proc PlotSmearedPeak_Gauss() //Peak_Gauss |
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| 27 | //no input parameters necessary, it MUST use the experimental q-values |
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| 28 | // from the experimental data read in from an AVE/QSIG data file |
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| 29 | |
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| 30 | // if no gQvals wave, data must not have been loaded => abort |
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| 31 | if(ResolutionWavesMissing()) |
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| 32 | Abort |
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| 33 | endif |
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| 34 | |
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| 35 | // Setup parameter table for model function |
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| 36 | Make/O/D smear_coef_Peak_Gauss = {100.0, 0.05,0.005, 1.0} |
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| 37 | make/o/t smear_parameters_Peak_Gauss = {"Scale Factor, I0 ", "Peak position (^-1)", "Std Dev (^-1)","Incoherent Bgd (cm-1)"} |
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| 38 | Edit smear_parameters_Peak_Gauss,smear_coef_Peak_Gauss //display parameters in a table |
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| 39 | |
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| 40 | // output smeared intensity wave, dimensions are identical to experimental QSIG values |
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| 41 | // make extra copy of experimental q-values for easy plotting |
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| 42 | Duplicate/O $gQvals smeared_Peak_Gauss,smeared_qvals // |
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| 43 | SetScale d,0,0,"1/cm",smeared_Peak_Gauss // |
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| 44 | |
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| 45 | smeared_Peak_Gauss := SmearedPeak_Gauss_Model(smear_coef_Peak_Gauss,$gQvals) // SMEARED function name |
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| 46 | Display smeared_Peak_Gauss vs smeared_qvals // |
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| 47 | ModifyGraph log=1,marker=29,msize=2,mode=4 |
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| 48 | Label bottom "q (\\S-1\\M)" |
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| 49 | Label left "Peak_Gauss Model (cm\\S-1\\M)" |
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| 50 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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| 51 | End // end macro PlotSmearedPeak_Gauss |
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| 52 | |
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| 53 | Function Peak_Gauss_model(w,x) : FitFunc |
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| 54 | Wave w |
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| 55 | Variable x |
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| 56 | // Input (fitting) variables are: |
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| 57 | //[0] scale factor |
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| 58 | //[1] peak position |
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| 59 | //[2] Std Dev |
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| 60 | //[3] incoherent background |
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| 61 | // give them nice names |
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| 62 | Variable I0, qpk, dq,bgd |
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| 63 | I0 = w[0] |
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| 64 | qpk = w[1] |
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| 65 | dq = w[2] |
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| 66 | bgd = w[3] |
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| 67 | |
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| 68 | // local variables |
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| 69 | Variable inten, qval |
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| 70 | // x is the q-value for the calculation |
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| 71 | qval = x |
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| 72 | // do the calculation and return the function value |
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| 73 | |
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| 74 | inten = I0*exp(-0.5*((qval-qpk)/dq)^2)+ bgd |
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| 75 | Return (inten) |
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| 76 | End |
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| 77 | ///////////////////////////////////////////////////////////////////////////////// |
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| 78 | |
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| 79 | // this is all there is to the smeared calculation! |
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| 80 | Function SmearedPeak_Gauss_Model(w,x) :FitFunc |
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| 81 | Wave w |
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| 82 | Variable x |
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| 83 | |
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| 84 | Variable ans |
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| 85 | SVAR sq = gSig_Q |
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| 86 | SVAR qb = gQ_bar |
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| 87 | SVAR sh = gShadow |
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| 88 | SVAR gQ = gQVals |
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| 89 | |
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| 90 | //the name of your unsmeared model is the first argument |
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| 91 | ans = Smear_Model_20(Peak_Gauss_model,$sq,$qb,$sh,$gQ,w,x) |
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| 92 | |
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| 93 | return(ans) |
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| 94 | End |
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