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*<^ <$ ݶ= {o= I= )7= xİ= 4= :]= &= = L= ` wR T= + Vm= P= 8= 6l= }Ľ h= s= 0 |= `ཽ = Q li= `ٽ != -ν E= Ou \ʽ @A!= `2Dս u= qE= ? P~= IҲ= ՟= 0N= @Q Z mXҽ 8= u_н OLѽ `ͽ x讽 | : ~= L:¤= )¤ 1= Ӏ [
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constraintsTextWave $[
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W_AutoPeakInfo $[
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A p l[
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Peak 0 Coefs $[
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Peak 0 $[
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m? > [
Peak 1 $[
Zv\d? ? ? ? o@ yQ>
.yb>hzʽ">?[t)>E1>-a]7>-)9?>WB.E>뚫cL>R>TENBY>`>oa1f>˱FHm>#8Bs>F**@y>R>0 V>'=K>Q->>X>;2~ >)7sE> >[xj>ʊ>ܦJ>)=>9W]<>Ry>jɰ>sw{>6)WX>ȱJ>> $Z>>SZ>Ӣ->f>faʦ<>*h?|?Y=NU ?F &]?e5 ?Ny@?:WQ?2IpP ?ΔDy<#?G˛O&?s|*?.?ܶ2?jt4?%l|08?$;?;e
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Bkg_yw $[
I? ? ? ? @ nnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnnn A5H J
]
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blepswave $[
? ? ? ? ư> qp DJ
]
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Peak 0 Coefseps $[
? ? ? ? ư>ư>ư>ư>ư>ư> :H AC
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]
MPF2_CoefsBackup_0 $[
? ? ? ? yp DJ
]
]
MPF2_CoefsBackup_1 $[
? ? ? ? 33333@ ? .@ p@ ? .@ g h]
]
1 M_Covar $[
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W_sigma_0 $[
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W_sigma_1 $[
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j
MPF2_ResultsListWave $[
? ? ? ? * Peak 0DoubleSFG2950+/- 1.092e-071(Not Available)0.2582(Not Available)15(Not Available)1.5+/- 1.0451e-0815(Not Available)3.873(Not Available)NaN(Not Available)2950+/- 1.092e-071+/- 1.3394e-0815+/- 2.0799e-073000+/- 6.1289e-081.5+/- 1.0451e-0815+/- 1.0904e-07 ! 0 6 E G V Y g i x } )I x j
j
MPF2_ResultsListTitles $[
? ? ? ? \K(39321,39321,39321)\k(39321,39321,39321) \Zr075\W517\MPeak TypeLocationAmplitudeAreaFWHMPeakCenter2Amplitude2Area2PeakWidth2Center1Amplitude1Width1Center2Amplitude2Width28 A I I R R V V Z Z e e o o t t ~ ~
WM_WaveSelectorList @FG! [
WM_HierarchicalList @FG! [
HierarchicalListInfo0 FG! [
[
]
π ListWave [
? ? ? ? e [
BaselinePeak 0 Center1 Amplitude1 Width1 Center2 Amplitude2 Width2Constant\JR\W523DoubleSFG\JR\W523295011530001.515HoldHoldHoldHoldHoldHoldMin:Min:Min:Min:Min:Min:Max:Max:Max:Max:Max:Max:Peak 0Peak 0Peak 0Peak 0Peak 0Peak 0BaselinePeak 0Peak 0:Center1Peak 0:Amplitude1Peak 0:Width1Peak 0:Center2Peak 0:Amplitude2Peak 0:Width2 ' 1 < J T d u y z |
+ 9 J W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W @ [
]
@ SelWave [
? ? ? ? c B B @ @ @ @ @ @ B B B B B B @ @ @ @ @ @ @ @ @ @ @ @
* |; // Platform=Macintosh, IGORVersion=6.340, architecture=Intel, systemTextEncoding="macintosh", historyTextEncoding="macintosh", procwinTextEncoding="macintosh"
Silent 101 // use | as bitwise or -- not comment.
NewPath/Z IgorPro "Macintosh HD:Users:Yonatan:Dropbox:Postdoc:IgorPro:"
DefaultFont "Geneva"
MoveWindow/P 5,44,642,347
Table0()
MoveWindow/C 31,278,1231,435
String/G root:gWMSetNextTextFilesTextEncoding = "macintosh" // Text encoding for "DoubleSFG_Peak.ipf". Used by Igor Pro 7.
OpenProc/W=(487,50,1270,805)/P=home "DoubleSFG_Peak.ipf"
MultiPeak2StarterPanel()
MultipeakFit_Set1()
Graph0()
MPF2_ResultsPanel_1()
KillStrings/Z root:gWMSetNextTextFilesTextEncoding
Window MPF2_ResultsPanel_1() : Panel
PauseUpdate; Silent 1 // building window...
NewPanel /K=1 /W=(29,411,649,738) as "Multipeak Fit 2 Results"
TitleBox MPF2_ResultsYWave,pos={529,7},size={82,32},font="Geneva",fSize=9
TitleBox MPF2_ResultsYWave,variable= root:Packages:MultiPeakFit2:MPF_SetFolder_1:MPF2_Results_DataWavesTitle,anchor= RT
TitleBox MPF2_Results_DataTitle,pos={10,7},size={203,32},fSize=9
TitleBox MPF2_Results_DataTitle,variable= root:Packages:MultiPeakFit2:MPF_SetFolder_1:MPF2_Results_DateTitle
TitleBox MPF2_Results_ChiSquare,pos={494,240},size={117,12},title="Chi-square = 2.86611e-19"
TitleBox MPF2_Results_ChiSquare,frame=0,anchor= RT
TitleBox MPF2_Results_TotalArea,pos={509,255},size={102,12},title="Total Area = 0.258199"
TitleBox MPF2_Results_TotalArea,frame=0,anchor= RT
TitleBox MPF2_Results_TotalAreaStdev,pos={583,270},size={28,12},title="+- nan"
TitleBox MPF2_Results_TotalAreaStdev,frame=0,anchor= RT
ListBox MPF2_FitResultsList,pos={1,54},size={618,175},proc=MPF2_resultsListProc
ListBox MPF2_FitResultsList,frame=2
ListBox MPF2_FitResultsList,listWave=root:Packages:MultiPeakFit2:MPF_SetFolder_1:MPF2_ResultsListWave
ListBox MPF2_FitResultsList,titleWave=root:Packages:MultiPeakFit2:MPF_SetFolder_1:MPF2_ResultsListTitles
ListBox MPF2_FitResultsList,mode= 5,selRow= -1,selCol= 0,widths={50,72,100}
ListBox MPF2_FitResultsList,userColumnResize= 1
Button MPF2_ResultsDoNotebookButton,pos={12,240},size={260,20},proc=MPF2_ResultsDoNotebookButtnProc,title="Report in Notebook"
Button MPF2_TabDelimitedResultsButton,pos={12,270},size={260,20},proc=MPF2_TabDelimitedResultsBtnProc,title="Standard Parameters, Tab-Delimited"
Button MPF2Results_GraphButton,pos={314,240},size={100,20},proc=MPF2Results_GraphButtonProc,title="Graph..."
CheckBox MPFTResults_BackgroundCheck,pos={314,273},size={156,16},proc=MPF2_reportBackground,title="Include Background Info"
CheckBox MPFTResults_BackgroundCheck,fSize=12,value= 0
Button MPF2_BaselineSubtracted,pos={12,299},size={200,20},proc=MPF2_BLSubtractedDataButtonProc,title="Baseline-Subtracted Data"
SetVariable MPF2_BLSubtractedWaveName,pos={220,300},size={375,19},bodyWidth=160,title="Wave Name for BL Subtracted Data:"
SetVariable MPF2_BLSubtractedWaveName,fSize=12,value= _STR:"yw_BlSub"
SetWindow kwTopWin,hook(MPF2_ResultsResizeHook)=MPF2_ResultsResizeHook
SetWindow kwTopWin,userdata(MPF2_DataSetNumber)= "1"
EndMacro
Window Graph0() : Graph
PauseUpdate; Silent 1 // building window...
Display /W=(35,44,430,252) yw vs xw
ModifyGraph mode=4
ModifyGraph marker=8
ModifyGraph tick=2
ModifyGraph mirror=1
ModifyGraph nticks(left)=3
ModifyGraph minor(bottom)=1
ModifyGraph btLen(bottom)=4
Label left "SFG intensity [a.u]"
Label bottom "IR wavenumber [cm\\S-1\\M]"
SetAxis/A/N=1 left
EndMacro
Window MultipeakFit_Set1() : Graph
PauseUpdate; Silent 1 // building window...
String fldrSav0= GetDataFolder(1)
SetDataFolder root:Packages:MultiPeakFit2:MPF_SetFolder_1:
Display /W=(442,46,837,254) ::::yw vs ::::xw
AppendToGraph fit_yw
AppendToGraph/L=Res_left Res_yw vs ::::xw
AppendToGraph/L=Peaks_Left 'Peak 0'
AppendToGraph Bkg_yw
SetDataFolder fldrSav0
ModifyGraph rgb(fit_yw)=(1,4,52428),rgb(Bkg_yw)=(2,39321,1)
ModifyGraph lblPosMode(Res_left)=1,lblPosMode(Peaks_Left)=1
ModifyGraph lblPos(left)=48
ModifyGraph freePos(Res_left)={0,kwFraction}
ModifyGraph freePos(Peaks_Left)={0,kwFraction}
ModifyGraph axisEnab(left)={0.25,0.75}
ModifyGraph axisEnab(Res_left)={0.8,1}
ModifyGraph axisEnab(Peaks_Left)={0,0.2}
Tag/C/N=PeakTag0/F=0/B=1/A=MB/X=0.00/Y=1.00/L=0/P=1 'Peak 0', 2950.38949839852103, "\\Zr0800"
SetDrawLayer ProgBack
SetDrawEnv xcoord= bottom,ycoord= prel,linefgc= (56797,56797,56797)
DrawLine 2949.99999990354,0,2949.99999990354,1
SetDrawLayer UserFront
SetWindow kwTopWin,hook(PopupWS_HostWindowHook)=PopupWSHostHook
SetWindow kwTopWin,hook(MPF2_DataGraphHook)=MPF2_DataGraphHook
SetWindow kwTopWin,userdata(MPF2_DataSetNumber)= "1"
NewPanel/HOST=#/EXT=2/W=(272,0,272,405) as "Multi-peak Fit Set 1"
ModifyPanel fixedSize=0
CheckBox MPF2_UserCursorsCheckbox,pos={10,4},size={98,15},title="Use Graph Cursors"
CheckBox MPF2_UserCursorsCheckbox,value= 0
Button MPF2_HelpButton,pos={205,1},size={50,20},proc=MPF2_DoHelpButtonProc,title="Help"
DefineGuide UGH0={FT,25},UGH1={UGH0,68},UGH3={FB,-23},UGH2={UGH3,-89}
SetWindow kwTopWin,hook(MPF2_PanelKillHook)=MPF2_PanelKillHook
SetWindow kwTopWin,hook(MPF2_PanelResizeHook)=MPF2_PanelResizeHook
SetWindow kwTopWin,userdata(MPF2_UPDATEPANELVERSION)= "2.15"
SetWindow kwTopWin,userdata(MPF2_hostgraph)= "MultipeakFit_Set1"
SetWindow kwTopWin,userdata(MPF2_DataSetNumber)= "1"
NewPanel/W=(0,86,265,149)/FG=(,UGH0,,UGH1)/HOST=#
ModifyPanel frameStyle=0, frameInset=0
GroupBox MPF2_LocatePeaksGroupBox,pos={8,2},size={249,61},title="Locate Peaks"
GroupBox MPF2_LocatePeaksGroupBox,fStyle=1
Button MPF2_AutoLocatePeaksButton,pos={53,21},size={158,20},proc=MPF2_AutoLocatePeaksButtonProc,title="Auto-locate Peaks Now"
Button MPF2_AutoLocatePeaksButton,fSize=10
CheckBox MPF2_NegativePeaksCheck,pos={90,44},size={84,15},title="Negative Peaks"
CheckBox MPF2_NegativePeaksCheck,variable= root:Packages:MultiPeakFit2:MPF_SetFolder_1:negativePeaks
CheckBox MPF2_DiscloseAutoPickParams,pos={14,45},size={16,15},proc=MPF2_DiscloseAutoPickCheckProc,title=""
CheckBox MPF2_DiscloseAutoPickParams,value= 0,mode=2
RenameWindow #,P0
SetActiveSubwindow ##
NewPanel/W=(66,86,199,260)/FG=(FL,UGH1,FR,UGH2)/HOST=#
ModifyPanel frameStyle=0, frameInset=0
CheckBox MPF2_DiscloseConstraints,pos={115,2},size={104,15},proc=MPF2_DiscloseConstraints,title="Apply Constraints"
CheckBox MPF2_DiscloseConstraints,fSize=10,value= 0
ListBox MPF2_PeakList,pos={6,20},size={256,177},proc=HierarchicalListListProc
ListBox MPF2_PeakList,userdata(MPF2_DataSetNumber)= "1"
ListBox MPF2_PeakList,userdata(HierarchicalListInfo)= A"!!*'jBk;P0K0;P2K1E;sFD4Q_@;@Vp@;]Xm,>^/rzzzzzzzzzzzzzzz"
Button MPF2_SelectMaskWave,userdata(popupWSInfo) += A"!!!!n:e!3I;e9cV@rtFRF)+icG%CXRzzzzzzzzzz!!!!n:e!3I9jr*Y=(-8`;e9cV@rtIaFD5?4zz"
Button MPF2_SelectMaskWave,userdata(popupWSInfo) += A"zzzzzzzzzzzzzzzz5]Asgz5]-Q%zzz^[M4'z^[M4'z5O\\XQzzzzz"
Button MPF2_SelectMaskWave,userdata(PopupWS_FullPath)= "_none_"
Button MPF2_SelectMaskWave,userdata(PopupWS_SelectableStrings)= "_none_;"
TitleBox MPF2_WeightWaveTitle,pos={8,99},size={67,13},title="Weight Wave:"
TitleBox MPF2_WeightWaveTitle,fSize=10,frame=0
Button MPF2_SelectWeightWave,pos={75,95},size={179,20},proc=PopupWaveSelectorButtonProc,title="\\JR_none_ \\W623"
Button MPF2_SelectWeightWave,userdata(popupWSInfo)= A"!!*'oF_l/6E+NHn7VQsO;e:&*,>E;sFD4Q_@;@Vp@;]Xm,>^/rzzzzzzzzzzzzzzz"
Button MPF2_SelectWeightWave,userdata(popupWSInfo) += A"!!!!n:e!3I;e9cV@rtd`BkM+$=(-8`zzzzzzzzzz!!!!n:e!3I=(Q)YBQR
Function SFGProfile() // The w wave is a 6 object wave that has the fit parameters. Use w[0] to w[6], i.e.;
// w0 = Center1
// w1 = Amp1
// w[2] = Width1
// w[3] = Center2
// w[4] = Amp2
// w[5] = Width2
Variable w0 = 2950, w1=1, w2=15, w3=3000,w4=1.5,w5=15
Prompt w0, "1st peak Max. [1/cm]"
Prompt w1, "1st peak amplitude"
Prompt w2, "1st peak width (Gama)"
Prompt w3, "2nd peak Max."
Prompt w4, "2nd peak amplitude"
Prompt w5, "2nd peak width(Gama)"
DoPrompt "Peaks parameters:", w0, w3, w1, w4, w2, w5
if(V_Flag)
return -1 // User canceled
endif
Make/N=60/D/O xw
xw = x*5+2800
Make/N=60/O yw
Variable/C sqrtJ = cmplx(0,1)
yw = (cabs((w1/((xw-w0)+w2*sqrtJ) + w4/((xw-w3)+w5*sqrtJ))))^2
Display yw vs xw
end