win峰值拟合程序分峰软件xpspeak41 readme.pdfVIP

XPSPeakFittingProgramforWIN95/98

XPSPEAKVersion4.1

Introduction

Ihadspent1000hoursonXPSpeakfittingwhenIwasa

graduatestudent.Duringthattime,Ihavedreamedofmany

featuresintheXPSpeakfittingsoftwarethatcouldhelptoobtain

moreinformationfromtheXPSpeaksandreducemyprocessing

time.In1994,IwroteaprogramthatconvertstheKratosXPS

spectralfilestoASCdata.Oncethisprogramwasfinished,I

foundthattheprogramcouldbeeasilyconvertedtoapeakfitting

program.ThenIaddedthedreamedfeaturesintotheprogram,e.g.,

aterwaytolocateapointatanoisebaselinefortheShirley

backgroundcalculations,combinethetwopeaksof2p3/2and2p1/2,

fittingdifferentXPSregionsatthesametime.

AfterthefirstversionandVersion2.0,manypeoplehave

emailedmeandgavemealotofsuggestions.Ialsofound

additionalfeaturesthatIcanputintotheprogram.Themajor

changeinVersion3.0istheadditionofNewton`smethodfor

optimization.IfoundthatNewton`smethodcangreatlyreducethe

optimizationtimeformultipleregionpeakfitting.ForVersion3.1,

Ihaveremovedalltherun-timeerrorsthatreportedtome.A

Shirley+Linearbackgroundwasadded.Thecopyto

clipboardfunctionwasaddedasrequestedbyauser.Someother

minorgraphicalfeatureswereadded.InVersion4.0,the

asymmetricalpeakfunction,threeadditionalfileformatsfor

importandafewminoradjustmentswereadded.However,the

additionofasymmetricalpeakfunctionactuallyrequiresmeto

changethepeakfunctionfromtheGaussian-Lorentzianproduct

functiontotheGaussian-Lorentziansumfunction.