X射线粉末图分析工具软件说明 xrdwin32.docx

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1、DRXWin2.0AGraphica1andAna1ytica1Too1forPowderXRDPatternsCopyrightVicentPrimoMartin1994-1998DRXINDEXINTRODUCTION1Setupandrequirements2Fi1es3MainScreen4Se1ectXRD8Axis12Peaks13Patterns14Too1s16PrintoutOptions20Jj11INTRODUCTIONDRXWin2.0isa32bitscomputerprogram(Windows95,NTorabove)which1etsyouworkwithXra

2、ydiffractionfi1escomingfromsevera1diffractometers,andRietve1dprograms1ikeFuIIProfandRIET7.Themainperformancesare: P1otdiagrams(maximum9)inanover1appedorsteppedway. Makezooms,addcommentsandgrids,changeaxisdivisions,etc. CustomiseXRDpatternsco1ourandwhiteorb1ackforthescreenbackgroundco1our. Automaticp

3、eaksearchandtheabi1itytoaddsymbo1stopeaksfor1abe11ingphases,etc. Savethepeakstop1otafterwardsasastickpatternandp1otpatternsofthePDF-2database. Qua1itativeana1ysisbysearchingincustompatterndatabases. 2zerocorrection;backgroundcorrection;smoothing;peakareaca1cu1ation;deconvo1utioninGaussian,1orentzian

4、orPseudo-Voigtfunctionsa11owingtoca1cu1ateFWHM;2rangeremoving;combineXRDs(addandsubstract)andresca1e. Abi1itytoassociatefi1estoDRXWinfor1oadingfi1eswithdoub1e-c1ick. Savefi1esinwindowsmetafi1eformattoeditormergeinanywordprocessor1ikeMicrosoftWord,AmiPro,etc. Exce11entqua1ityforprintinggraphicsandext

5、reme1yeasytouseasitrunsintheMicrosoftWindowsenvironment.Ji1DRXSetUPandReqUirementSTheprogrammustbeinsta11edbyrunningSETUP.EXE.Thesupp1ieddong1ehavetobeconnectedinanypara11e1portofthecomputer:Iptx(usua11yIpt1).Theoptionofaddingsymbo1stopeaksneedstheWingdingsfont(TrueType)whichcomeswithWindows.Ifyourp

6、rinterdoesnotsupportTrueTypefontsyoumayhavesomeprob1emsinprintoutand/oronthescreen(errormessage:Inva1idPropertyVa1ue).Youshou1dupdateyourprinterdriver.Fromversion2.0DRXWinwi11on1yrunin32bitsoperatingsystems1ikeWindows95,WindowsNTandabove.Itisadvisab1etohave16MbofRAMandSVGA(800x600).Jj12DRX1DRXWin2.0

7、canreadfi1esfromthefo11owingdiffractometers: SIEMENS(*.RAWand*.DAT). RIGAKU(*.DAT)inbinaryformat. PHI1IPS(*.RD),(*.UDF)X*DAT)PhiIips-PW1050/70(*.)andPhiIips-P1V. STOEC.DAT). SEIFERT(*.V1).A1soitcanreadASCIIfi1eswithextensionXY,withthefo11owingformat:2Theta(b1ankspaceocomma)Intensity.The2Thetava1uess

8、hou1dhaveaconstantstep(it,sassumed).Thesefi1eswi11beca11edSTANDARDXRD,anditwi11bepossib1etoworkwithupto9fi1esatthesametime.Thefi1escomingfromRietve1dprogramsareca11edRIETVE1DXRD: FU11PROF(*.PRF).Thesefi1eshavemoreinformationthantheotherones(theoreticandexperimenta1pattern,hk1,etc.)sothatyouwi11on1yb

9、eab1etoworkwith1fi1eatatime,thuswhenyouopenaComp1eteRietve1dtheotherfi1eswi11bede1etedfrommemory(sodsuggestthatyousavethembeforeopeningaRietve1dXRDfi1e).ThebackgroundinformationforPRFfi1eswithP1OTPOWformatisinc1udedin.BACfi1eswhichmustbeinthesamedirectoryasthePFFfiIe. RIET7(*.P1T).Thesefi1eshavethes

10、ameinformationasPRFfi1esinc1udedbackgrounddata,buttheinformationisontwofi1esIP1Tand*.DAT)sothesetwofi1esmustbeinthesamedirectory. GSAS(k.DAT).Thesefi1eson1yhavetheexperimenta1pattern.Moreover,theprogramcreatessomefi1es:inbinary(*./?XWand*.F1P)andASCII(*.ARX,*.AFTand*.DAT)formats.Thebinaryfi1escanbeo

11、penedstartinganewsession: RXW-.haveasession,sotheycanhaveupto9STANDARDXRDand/ortheoreticRIETVE1DXRD. F1P:haveasessiondoneonaComp1eteRIETVE1DXRD.On1ytheASCIIfi1eswith.DATextensioncanbeopenedbytheprogram: ARX:haveasession,sotheyaresimi1artoRXWbutobvious1ytheydon,thavecomments,orpeaks,etc.Theyhaveon1yv

12、a1uesofintensityand2. AFT:havethetheoreticpatternofaRIETVE1DXRD. DAT:haveon1yoneXRDwithexact1ythesameformatastheDATfi1eforFU11PROFprogram.MAINE1EMENTS（35）IminJ-12.79Imax:661.4Xjhk11ist20hk1phase!94.5502024194.821513194.839155194.9023315194.985400295.0882222195.121513195.2023315195.286400295.38922221

13、95.5611321195.8651321196.14031211Pgthk1C1ear27.88凶20min:2ma:38.41XZ03B1-2abjw117.rawXZ03B1-3a)jw118.raw（1。）IIJJ UJ 1 1J JJ 1JJ YJJ 1J IJJ ) 1 2 6 3 4 5 6 7 8 6 7 II 2 111 II 1Bi17Bi2Bi2.Bi1.(27)(22)Manua1peaksBi2.22Sr0.7804(30)H唱B口IBHaBackground23.7619227.588034.548041.922446.042452.865254.7010861.3

14、8108上.J工勺一2（回1(ntenSD66.62136Jd回77.988086.7810893.468099.70108Patterns(29)(33)(34)(19)67 Z O . O 1 8 U r 7ocs UC284 U -. 6C10H(23)2:38.108d:2.3595I312.14IX1=154060(3)(21)TOo1BARSTherearetwotoo1bars,atthetop(1)(Too1bar1)andright(2)(Too1bar2)ofthescreen;andaninformationbar(3)atthebottomofthescreen.Inthefirstonethereare2andIva1ueswhichyoucanchangetosetzoomva1ues,soyouwi11beab1etodoazoomwiththeseva1uesc1ickingthebutton(4).Thesecondhasthesebuttons: (5)openfi1es. (6)p1ottemporary1ines(