如何对XRD数据进行物相检索及Origin作图（2）.docx

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1、如何对XRD数据进行物相检索及Origin作图（2）I1f5由蓝亨,较柘关进接上一章如何对XRD数据进行物相检索及Origin作图（1）上一章提到首先将测得XRD数据的.raw格式文件打开，然后保存为.txt文档进行Origin作图。获得的.txt文件打开如下图。直接将“？”删除，得到的数据复制到Origin中。（注：如果数据未分列，可借助EXCeI-数据-分列功能进行分列）文件编辑直看5.0245.019722255.039443245.059164165.078886225.098607295.118328405.13805285.157771185.177492325.197214245

2、.216935275.236656185.256378335.276099245.29582215.31554227电锂电池储能技才5.335263285.354985275.37470628同理PDF卡片获得的.txt文档，如下图所示，只需要将2-Theta和1（f）两列数据进行COPy至Origin中。（同样，如果数据未分列，可借助Exce1进行分列）Strong1ines:3.14/X1.92/61.64/31.11/11.25/10.86/10.92/11.36/11.05/10.96/1NOTE:Patterntakenat25(1)C.ThisSamP1eisNBSStandard

3、ReferenceMateria1No.640.Ref1ectionsca1cu1atedfromprecisionmeasurementofa.auncorrectedforrefraction.Torep1ace00-005-0565and00-026-1481.2-Thetad(?)I(f)(hk1)Theta1(2d)2pidnA228.4423.1355100.0(111)14.2210.15952.0039347.3021.920155.0(220)23.6510.26043.2723856.1211.637530.0(311)28.0600.30533.83711169.1301

4、.35776.0(400)34.5650.36834.62781676.3771.245911.0(331)38.1890.40135.04311988.0261.108612.(422)44.013.45105.66772494.9481.04526.0(511)47.4740.47846.011527106.715.96003.0(440)53.3570.52086.545032114.0870.91807.0(531)57.0440.54476.844435127.5410.85878.0(620)63.7700.58237.317140,锂电池储能挣方;136.890.82823.0(

5、533)68.4450.6377.586643在画好XRD数据的基本框架后，建立一个上面为X轴，右边为Y轴的图层2,具体操作Insert-New1ayer(Axes)-Top-XRight-Y(1inkedDimension)oG1EeEditYieWGraphFormatInsertDataAna1ysisGadgetsIoOISPreferencesConnectivityWindowSocia1He1pD0rvwGiSP1otto1ayerErrorBars.FunctionP1ot.ParametricP1ot-New1ayer(Axes)ImagesFromFi1es.600-Str

6、aight1ine-AxisScro11barET1000mTab1e.=Co1orSca1e：(Q)Bubb1eSca1e800I&Sea1erProjeCtEXPIOrer(cMessages1ogSmanHimBo%方型固脚BI自回品峻国也哺:Ana1科U、.；Bottom-X1eft-YIop-X(1inkedYSca1eandDimension)Right-Y(1inkedXSca1eandDimension)1eft-Y(1inkedXSca1eandDimension)Top-XRight-Y(1inkedDimension)Bottom-XRight-Y(1inkedDimen

7、sion)Inset(1inkedDimension)InsetWithData(1inkedDimension)NoAxes(1inkedXYSca1eandDimension)QpenDia1og.然后鼠标放在图层2中，鼠标右击，弹出如下对话框，点击1ayerContentSo5.山Qq*M 修一.1Ed,八(,et0空PrOjeCtEKPrer(1)Messages1OgSmarrHint1oeHide1ayerHideOtherUyersShowActive1ayerOn1ySetActive1ayerBy1ayerIconOn1yDe1ete1yr1ayerContents-.F12

8、P1otSetup.Doub1edicktoopenP1oSetupAXiSM.1ayerProperties-UyrManagtnwnt.1QBnngtoFrontQJBringForwardPushBackwardPusbtoBackOausetDstrccIXAxisTit1e406080HSa再将PDF卡片数据以柱状图的形式导入到图层2中。具体操作为将字母A的位置更改为Coiumn/Bar的形式，将Book2中B(Y)数据通过点击箭头移入右边灰色框中，然后点击OK/App1y即可。1ayercontents:Add,Remove,Group,OrderP1ots-IopXKightYW

9、orksheetsinFo1der1ayer(2)Inc1udeShortcutsGroupUngroupfJ|Resca1eonApp1yE1U1ineScanerShortName1ongName1egendP1otTypeB(Y)1ine+Symbo1Co1umn/BarAreaCo1umn/Bar获得如下图所示的图。J2双击柱状图后，弹出如下窗口，点击Spacing,将GapBetweenBars(in%)数据更改为98或者其它你觉得合适的数值，点击OK确认。,P1otDetai1sP1otPropertiesGraph1Uyr1-TopXRightY(Book2)S1!AoaB(Y)

10、(V:6e)Disp1ayPdttornSpacingPoadUt1GapBetweenBars(in%)89Ovodp(%1forGp)GapbetweenBarsfromDifferentPane1s(iWidth(in%)NoneP1otTypeCo1umn/Bar-1七锂电池储能技才WorkbookOKCance1App1y获得的图如下，双击右边Y轴，通过更改右边Y轴范围将其变大,这样PDF卡片相应的柱状线会降低。最后再将图片进行调整美化。304050607080191000-800-600-400-200-经过以上所有的操作，将所测数据保存的txt文档和物相检索获得的PDF卡片对应的.txt文档整合到Origin一张图中，最后标出各衍射峰对应的晶面值，做出来的的图像如下图所示。(nB)AIu912040602Theta(deg.)END圄长按图片，识别二维码入威达里，加关注嗯