win峰值拟合程序分峰软件xpspeak41 readme.pdf

XPSPeakFittingProgramforWIN95/98

XPSPEAKVersion4.1

Introduction

Ihadspent1000hoursonXPSpeakfittingwhenIwasa

graduatestudent.Duringthattime,Ihavedreamedofmanyfeatures

intheXPSpeakfittingsoftwarethatcouldhelptoobtainmore

informationfromtheXPSpeaksandreducemyprocessingtime.In

1994,IwroteaprogramthatconvertstheKratosXPSspectralfiles

toASCIIdata.Oncethisprogramwasfinished,Ifoundthatthe

programcouldbeeasilyconvertedtoapeakfittingprogram.Then

Iaddedthedreamedfeaturesintotheprogram,e.g.,abetterwayto

locateapointatanoisebaselinefortheShirleybackground

calculations,combinethetwopeaksof2p3/2and2p1/2,fitting

differentXPSregionsatthesametime.

AfterthefirstversionandVersion2.0,manypeoplehave

emailedmeandgavemealotofsuggestions.Ialsofoundadditional

featuresthatIcanputintotheprogram.Themajorchangein

Version3.0istheadditionofNewton`smethodforoptimization.I

foundthatNewton`smethodcangreatlyreducetheoptimization

timeformultipleregionpeakfitting.ForVersion3.1,Ihave

removedalltherun-timeerrorsthatreportedtome.AShirley+

Linearbackgroundwasadded.Thecopytoclipboardfunction

wasaddedasrequestedbyauser.Someotherminorgraphical

featureswereadded.InVersion4.0,theasymmetricalpeakfunction,

threeadditionalfileformatsforimportandafewminoradjustments

wereadded.However,theadditionofasymmetricalpeakfunction

actuallyrequiresmetochangethepeakfunctionfromtheGaussian-

LorentzianproductfunctiontotheGaussian-Lorentziansum

function.Calculationoftheasymmetricalfunctionusingthe

Gaussian-Lorentzianproduct