| 1 | #pragma rtGlobals=1 // Use modern global access method. |
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| 2 | |
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| 3 | //////////////////////////////////////////////// |
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| 4 | // GaussUtils.proc and PlotUtils.proc MUST be included for the smearing calculation to compile |
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| 5 | // Adopting these into the experiment will insure that they are always present |
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| 6 | //////////////////////////////////////////////// |
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| 7 | // this procedure is for the form factor of a sphere |
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| 8 | // |
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| 9 | // 06 NOV 98 SRK |
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| 10 | //////////////////////////////////////////////// |
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| 11 | |
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| 12 | Proc PlotSphereForm(num,qmin,qmax) |
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| 13 | Variable num=128,qmin=0.001,qmax=0.7 |
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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_sf,ywave_sf |
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| 19 | xwave_sf = alog(log(qmin) + x*((log(qmax)-log(qmin))/num)) |
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| 20 | Make/O/D coef_sf = {1.,60,1e-6,0.01} |
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| 21 | make/o/t parameters_sf = {"scale","Radius (A)","contrast (-2)","bkgd (cm-1)"} |
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| 22 | Edit parameters_sf,coef_sf |
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| 23 | ywave_sf := SphereForm(coef_sf,xwave_sf) |
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| 24 | Display ywave_sf vs xwave_sf |
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| 25 | ModifyGraph log=1,marker=29,msize=2,mode=4 |
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| 26 | Label bottom "q (\\S-1\\M)" |
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| 27 | Label left "Intensity (cm\\S-1\\M)" |
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| 28 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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| 29 | End |
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| 30 | |
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| 31 | /////////////////////////////////////////////////////////// |
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| 32 | |
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| 33 | Proc PlotSmearedSphereForm() |
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| 34 | //no input parameters necessary, it MUST use the experimental q-values |
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| 35 | // from the experimental data read in from an AVE/QSIG data file |
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| 36 | |
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| 37 | // if no gQvals wave, data must not have been loaded => abort |
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| 38 | if(ResolutionWavesMissing()) |
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| 39 | Abort |
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| 40 | endif |
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| 41 | |
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| 42 | // Setup parameter table for model function |
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| 43 | Make/O/D smear_coef_sf = {1.,60,1e-6,0.0} |
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| 44 | make/o/t smear_parameters_sf = {"scale","Radius (A)","contrast (-2)","bkgd (cm-1)"} |
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| 45 | Edit smear_parameters_sf,smear_coef_sf |
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| 46 | |
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| 47 | // output smeared intensity wave, dimensions are identical to experimental QSIG values |
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| 48 | // make extra copy of experimental q-values for easy plotting |
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| 49 | Duplicate/O $gQvals smeared_sf,smeared_qvals |
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| 50 | SetScale d,0,0,"1/cm",smeared_sf |
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| 51 | |
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| 52 | smeared_sf := SmearedSphereForm(smear_coef_sf,$gQvals) |
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| 53 | Display smeared_sf vs smeared_qvals |
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| 54 | ModifyGraph log=1,marker=29,msize=2,mode=4 |
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| 55 | Label bottom "q (\\S-1\\M)" |
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| 56 | Label left "Intensity (cm\\S-1\\M)" |
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| 57 | AutoPositionWindow/M=1/R=$(WinName(0,1)) $WinName(0,2) |
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| 58 | End |
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| 59 | |
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| 60 | /////////////////////////////////////////////////////////////// |
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| 61 | // unsmeared model calculation |
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| 62 | /////////////////////////// |
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| 63 | Function SphereForm(w,x) : FitFunc |
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| 64 | Wave w |
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| 65 | Variable x |
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| 66 | |
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| 67 | // variables are: |
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| 68 | //[0] scale |
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| 69 | //[1] radius () |
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| 70 | //[2] delrho (-2) |
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| 71 | //[3] background (cm-1) |
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| 72 | |
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| 73 | Variable scale,radius,delrho,bkg |
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| 74 | scale = w[0] |
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| 75 | radius = w[1] |
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| 76 | delrho = w[2] |
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| 77 | bkg = w[3] |
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| 78 | |
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| 79 | |
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| 80 | // calculates scale * f^2/Vol where f=Vol*3*delrho*((sin(qr)-qrcos(qr))/qr^3 |
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| 81 | // and is rescaled to give [=] cm^-1 |
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| 82 | |
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| 83 | Variable bes,f,vol,f2 |
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| 84 | // |
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| 85 | //handle q==0 separately |
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| 86 | If(x==0) |
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| 87 | f = 4/3*pi*radius^3*delrho*delrho*scale*1e8 + bkg |
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| 88 | return(f) |
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| 89 | Endif |
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| 90 | |
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| 91 | bes = 3*(sin(x*radius)-x*radius*cos(x*radius))/x^3/radius^3 |
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| 92 | vol = 4*pi/3*radius^3 |
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| 93 | f = vol*bes*delrho // [=] |
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| 94 | // normalize to single particle volume, convert to 1/cm |
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| 95 | f2 = f * f / vol * 1.0e8 // [=] 1/cm |
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| 96 | |
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| 97 | return (scale*f2+bkg) // Scale, then add in the background |
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| 98 | |
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| 99 | End |
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| 100 | |
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| 101 | // this is all there is to the smeared calculation! |
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| 102 | Function SmearedSphereForm(w,x) :FitFunc |
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| 103 | Wave w |
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| 104 | Variable x |
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| 105 | |
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| 106 | Variable ans |
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| 107 | SVAR sq = gSig_Q |
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| 108 | SVAR qb = gQ_bar |
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| 109 | SVAR sh = gShadow |
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| 110 | SVAR gQ = gQVals |
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| 111 | |
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| 112 | //the name of your unsmeared model is the first argument |
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| 113 | ans = Smear_Model_20(SphereForm,$sq,$qb,$sh,$gQ,w,x) |
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| 114 | |
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| 115 | return(ans) |
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| 116 | End |
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