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Pro:Educational:XRDCalculator:MyDrive%H+% XRDCalculator%L Educationalk7% : : ;S ;<{yFMyDrive:Users:jjw:Documents:Hobbies:Igor Pro:Educational:XRDCalculator XRDCalculatorMyDrive>Users/jjw/Documents/Hobbies/Igor Pro/Educational/XRDCalculator/ xRecentWindowsDDialog Help.ihfDiffraction PatternHelp BrowserInputInstructions 4Misc_EndXOPState_Start`Data BrowserDiffraction PattGizmo InputInstructiPeakFunctions2tional:XRDCalcul4XOPState_EndV_Flag?! Packages@ B! XRDCalculator B!(ao37?lambdaZӼ?structurex1 @Dssplabel(????!`Tdhkl?s>> /T>7>i[$>>R= /=R=o= =a?=y=q=v=U=t=,twotheta1?s|{A} B.BKBeBB造BYB造BR*BBbgC,BB C;4CZACHtwotheta2?sKBBYBBVCqLCUCyvnCUC1 ^CvC^CULfC~CȖC>PIratio1?s>>>=.=6W=&=<@\Iratio2?s*>==<.<6W<&<`yn?ssL ts3hkl(????((???@@@@@@@@@@@@@@@@@@@@@@@???@@@?@@@?@@@@@@@??@???@@@Lfz?~~pIratio1o???>>L>>9==9==ى=9c=.=%I=6W=.:=&=rIratio2o??>*>=L==9<<9<<ى<9c<.<%I<6W<.:<&<LfS ;ƪ3StructureDeltas(????1+???????????????????????????????? *d0TMW0RGIJInstructionsInstructionsInstructions 9 HHL Xg(HH(dh /nz /nz$Normal < BHHHH$$(@Z@@ JJJJJJJJ Instructions  AThe input panel is used to change the crystal structure, lattice >parameter, and x-ray wavelength for the simulated experiment.  <Also change the maximum I/Io scale as well as the start and 4end diffraction angle on the graph using the panel.  ;Vertical lines appear scaled by their hkl intensity value. /Black lines are the n=1 condition, red the n=2.Z^Times// Platform=Macintosh, IGORVersion=6.100, architecture=Intel Silent 101 // use | as bitwise or -- not comment. DefaultFont "Geneva" MoveWindow/P 266,197,840,742 MoveWindow/C 19,643,572,774 DiffractionPattern() OpenNotebook/N=Instructions/W=(655,288,979,457)/J=49961 "Instructions" Input() Window Input() : Panel PauseUpdate; Silent 1 // building window... NewPanel /W=(655,112,896,263) as "Input" PopupMenu structure,pos={18,10},size={108,20},proc=ChangeStructure,title="Structure" PopupMenu structure,fSize=12,mode=2,popvalue="FCC",value= #"\"SC;FCC;BCC;\"" SetVariable ao,pos={49,37},size={150,19},proc=UpdateValues,title="ao [nm]" SetVariable ao,fSize=12 SetVariable ao,limits={0,inf,0.01},value= root:Packages:XRDCalculator:ao SetVariable lambda,pos={20,60},size={180,19},proc=UpdateValues,title="lambda [nm]" SetVariable lambda,fSize=12 SetVariable lambda,limits={0,inf,0.01},value= root:Packages:XRDCalculator:lambda SetVariable thetastart,pos={19,110},size={100,19},proc=SetTwoTheta,title="|< [o]" SetVariable thetastart,fSize=12,limits={0,90,5},value= _NUM:10 SetVariable thetaend,pos={129,110},size={100,19},proc=SetTwoTheta,title=">| [o]" SetVariable thetaend,fSize=12,limits={10,360,5},value= _NUM:160 SetVariable intensity,pos={52,86},size={100,19},proc=UpdateIRatioScale,title="Max I/Io" SetVariable intensity,fSize=12,limits={0.1,1,0.1},value= _NUM:0.6 EndMacro Window DiffractionPattern() : Graph PauseUpdate; Silent 1 // building window... String fldrSav0= GetDataFolder(1) SetDataFolder root:Packages:XRDCalculator: Display /W=(20,110,652,607) Iratio2 vs twotheta2 as "Diffraction Pattern" AppendToGraph Iratio1 vs twotheta1 SetDataFolder fldrSav0 ModifyGraph mode=1 ModifyGraph lSize=4 ModifyGraph rgb(Iratio2)=(52428,1,1),rgb(Iratio1)=(0,0,0) ModifyGraph mirror=2 ModifyGraph font="Helvetica" ModifyGraph fSize=14 Label left "\\Z16\\[0I/I\\Bo\\M" Label bottom "\\Z16\\[02\\F'Symbol'Q\\]0 [\\S o \\M]" SetAxis left 0,0.6 SetAxis bottom 10,160 EndMacro #pragma rtGlobals=1 // Use modern global access method. Function CalculateTwoThetas() NVAR ao = root:Packages:XRDCalculator:ao NVAR lambda = root:Packages:XRDCalculator:lambda wave dhkl = root:Packages:XRDCalculator:dhkl wave hkl = root:Packages:XRDCalculator:hkl wave twotheta1 = root:Packages:XRDCalculator:twotheta1 wave twotheta2 = root:Packages:XRDCalculator:twotheta2 duplicate/FREE dhkl sintheta dhkl = ao/sqrt((hkl[p][0])^2+(hkl[p][1])^2+(hkl[p][2])^2) sintheta = lambda/(2*dhkl) twotheta1 = sintheta <= 1 ? (asin(sintheta)*(180/Pi)) : (90 + asin(sintheta-1)*(180/Pi)) twotheta1*=2 sintheta = lambda/dhkl twotheta2 = sintheta <= 1 ? (asin(sintheta)*(180/Pi)) : (90 + asin(sintheta-1)*(180/Pi)) twotheta2*=2 return 0 end Function UpdateIRatioScale(sva) : SetVariableControl STRUCT WMSetVariableAction &sva switch( sva.eventCode ) case 1: // mouse up case 2: // Enter key case 3: // Live update SetAxis/W=DiffractionPattern left 0,sva.dval break endswitch return 0 End Function SetTwoTheta(sva) : SetVariableControl STRUCT WMSetVariableAction &sva switch( sva.eventCode ) case 1: // mouse up case 2: // Enter key case 3: // Live update GetAxis/W=DiffractionPattern/Q bottom strswitch(sva.ctrlName) case "thetastart": SetAxis/W=DiffractionPattern bottom sva.dval, V_max break case "thetaend": SetAxis/W=DiffractionPattern bottom V_min, sva.dval break endswitch break endswitch return 0 End Function UpdateValues(sva) : SetVariableControl STRUCT WMSetVariableAction &sva switch( sva.eventCode ) case 1: // mouse up case 2: // Enter key case 3: // Live update CalculateTwoThetas() break endswitch return 0 End Function ChangeStructure(pa) : PopupMenuControl STRUCT WMPopupAction &pa wave ir1 = root:Packages:XRDCalculator:Iratio1 wave ir2 = root:Packages:XRDCalculator:Iratio2 wave ir1o = root:Packages:XRDCalculator:Iratio1o wave ir2o = root:Packages:XRDCalculator:Iratio2o wave Str = root:Packages:XRDCalculator:StructureDeltas switch( pa.eventCode ) case 2: // mouse up // 0 - SC, 1 - FCC, 2 - BCC ir1=ir1o*Str[p][pa.popNum-1] ir2=ir2o*Str[p][pa.popNum-1] break endswitch return 0 End