{"id":154687,"date":"2018-09-27T06:00:10","date_gmt":"2018-09-26T22:00:10","guid":{"rendered":"\/\/m.iemloyee.com\/?p=154687"},"modified":"2019-04-26T18:18:58","modified_gmt":"2019-04-26T10:18:58","slug":"%e7%a7%91%e7%a0%94%e5%b9%b2%e8%b4%a7-rietveld%e7%b2%be%e4%bf%ae%e5%85%a5%e9%97%a8","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=154687","title":{"rendered":"\u79d1\u7814\u5e72\u8d27| Rietveld\u7cbe\u4fee\u5165\u95e8"},"content":{"rendered":"<p>\u5bf9\u4e8eX\u5c04\u7ebf\u591a\u6676\u884d\u5c04\u6570\u636eRietveld\u7cbe\u4fee\u6765\u8bf4\uff0c\u5927\u90e8\u5206\u6750\u6599\u4eba\u5e76\u4e0d\u964c\u751f\uff0c\u4f46\u5177\u4f53\u7684\u7cbe\u4fee\u65b9\u6cd5\u548c\u6ce8\u610f\u4e8b\u9879\u8fd8\u662f\u6709\u597d\u591a\u4eba\u4e0d\u61c2\uff0c\u4e5f\u88ab\u539a\u91cd\u7684\u5165\u95e8\u6559\u7a0b\u7ed5\u7684\u4e91\u91cc\u96fe\u91cc\u3002\u4eca\u5929\u5c0f\u7f16\u5c31\u624b\u628a\u624b\u6559\u5927\u5bb6\u7cbe\u4fee\u5165\u95e8\uff0c\u4e00\u4e2a\u5b8c\u6574\u7684\u6d41\u7a0b\u4e0b\u6765\uff0c\u5c31\u518d\u4e5f\u4e0d\u4f1a\u5bf9\u7cbe\u4fee\u671b\u800c\u751f\u754f\u4e86\u3002<\/p>\n<p><strong><b>\u7b2c\u4e00\u6b65\uff1a\u5fc5\u5907\u8f6f\u4ef6<\/b><\/strong><\/p>\n<p>\u00a0 \u00a0 \u00a0 CMPR\u3001EXPGUI<\/p>\n<p><strong><b>\u7b2c\u4e8c\u6b65\uff1a\u51c6\u5907\u6570\u636e<\/b><\/strong><\/p>\n<p>\u4eea\u5668\u53c2\u6570\uff08.inst\u6587\u4ef6\uff09\u3001XRD\u6570\u636e\uff08txt\u683c\u5f0f\uff09\u3001\u6676\u4f53\u6570\u636e\uff08.cif\u6587\u4ef6\uff09.<\/p>\n<p><strong><b>\u7b2c\u4e09\u6b65\uff1a\u7cbe\u4fee\u6d41\u7a0b<\/b><\/strong><\/p>\n<p><strong><em><b><i>1.\u524d\u671f\u51c6\u5907<\/i><\/b><\/em><\/strong><\/p>\n<p>\uff081\uff09\u5c06XRD\u6570\u636e\u7684txt\u683c\u5f0f\u540e\u7f00\u6539\u4e3a.dat\u683c\u5f0f\uff08\u6587\u4ef6\u5939\u548c\u6570\u636e\u547d\u540d\u7528\u82f1\u6587\uff0c\u6570\u636e\u547d\u540d\u4e0d\u8981\u542b\u62ec\u53f7\u3001\u4e0b\u5212\u7ebf\u7b49\uff09\uff0c\u65e0\u5173\u4fe1\u606f\u5220\u9664\uff0c\u53ea\u5269\u4e24\u5217\u6570\u636e\u3002<\/p>\n<p>\uff082\uff09\u6253\u5f00CMPR\u8f6f\u4ef6\uff0c\u201cRead\u201d\u4e2d\u9009\u62e9\u201cXY 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src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72474-5.png\" alt=\"\" width=\"600\" height=\"214\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72474-5.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72474-5-300x107.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\uff082\uff09\u201cPhase\u201d\u4e2d\u70b9\u51fb\u201cAdd Phase\u201d\uff0c\u5f39\u51fa\u6846\u4e2d\u70b9\u51fb\u9009\u62e9\u201cCIF\u201d\uff0c\u6253\u5f00\u76f8\u5e94\u7684 .cif \u6587\u4ef6\uff0c\u70b9\u51fb\u201cAdd\u201d\u5bfc\u5165\u6570\u636e\uff08\u56fe4\uff09\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154740 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72475-4.png\" alt=\"\" width=\"600\" height=\"426\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72475-4.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72475-4-300x213.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\uff083\uff09\u201cPowder\u201d\u4e2d\u70b9\u51fb\u201cAdd New Histogram\u201d,\u9009\u62e9\u76f8\u5e94\u7684 .gsas \u548c .inst \u6587\u4ef6\uff0c\u6700\u4e0b\u8fb9\u9009\u62e9\u201c2-Theta Max\u201d\uff0c\u70b9\u51fb\u201cAdd\u201d\uff08\u56fe5\uff09\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154741 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72476-3.png\" alt=\"\" width=\"600\" height=\"455\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72476-3.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72476-3-300x228.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\uff084\uff09\u201cLS Controls\u201d\u4e2d\uff0c\u201cNumber of Cycles\u201d\u4e00\u822c\u9009\u62e93\uff0c\u201cExtraction method\u201d\u521a\u5f00\u59cb\u7cbe\u4fee\u65f6\u9009\u62e9\u201cLe Bail method\u201d\uff08\u56fe6\uff09\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154742 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72477-3.png\" alt=\"\" width=\"600\" height=\"397\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72477-3.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72477-3-300x199.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\uff085\uff09\u201cScaling\u201d\u4e0b\u201cScale\u201d\u540e\u7684\u201cRefine\u201d\u4e00\u822c\u4e0d\u52fe\u9009\uff0c\u201cPhase Fractions\u201d\u540e\u7684\u201cRefine\u201d\u53ef\u4e00\u76f4\u52fe\u9009\u8fd0\u884c\uff0c\u6240\u6709\u9700\u8981\u7cbe\u4fee\u7684\u53c2\u6570\u5b83\u540e\u9762\u7684\u201cDamping\u201d\u4e00\u822c\u90fd\u9009\u62e95\uff08\u56fe7\uff09\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154743 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72478-3.png\" alt=\"\" width=\"600\" height=\"206\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72478-3.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72478-3-300x103.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\uff086\uff09\u201cPhase\u201d\u4e0b\u7684\u201cRefine Cell\u201d\u548c\u201cPowder\u201d\u4e0b\u7684\u201cBackground\u201d\u548c\u201cZero\u201d\u5206\u522b\u9009\u4e2d\uff0c\u70b9\u51fb\u201cpowpref\u201d\uff0c\u518d\u70b9\u51fb\u201cgenles\u201d\u7cbe\u4fee\u7a0b\u5e8f\u8fd0\u884c\uff0c\u201cCHI**2\u201d\u9010\u6e10\u51cf\u5c0f\uff08\u56fe8\uff09\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154744 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72479-3.png\" alt=\"\" width=\"600\" height=\"193\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72479-3.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u72479-3-300x97.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154745 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724710-3.png\" alt=\"\" width=\"600\" height=\"328\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724710-3.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724710-3-300x164.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154746 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724711-3.png\" alt=\"\" width=\"600\" height=\"397\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724711-3.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724711-3-300x199.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\uff087\uff09\u5f85\u201cCHI**2\u201d\u5c0f\u4e8e5\uff0c\u201cLS Controls\u201d\u4e2d\u201cExtraction method\u201d\u9009\u62e9\u201cRietveld\u201d,\u91cd\u590d\u6b65\u9aa4\uff086\uff09\uff0c\u4e00\u822c\u201cCHI**2\u201d\u5c0f\u4e8e2\u5373\u53ef\uff0c\u201cCHI**2\u201d\u63a5\u8fd11\uff0cwRp\u5c0f\u4e8e5\u7684\u7ed3\u679c\u6bd4\u8f83\u597d\uff08\u56fe9\uff09\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154747 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724712-2.png\" alt=\"\" width=\"600\" height=\"407\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724712-2.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724712-2-300x204.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\uff088\uff09\u201cCHI**2\u201d\u503c\u8f83\u5927\u4e14\u57fa\u672c\u4e0d\u53d8\u65f6\uff0c\u53ef\u5206\u522b\u9009\u62e9\u201cProfile\u201d\u4e0b\u7684\u201cLX\u201d\u201cLY\u201d\u201cGU\u201d\u201cGV\u201d\u201cGW\u201d\u8fdb\u884c\u7cbe\u4fee\uff08\u5b9a\u91cf\u8ba1\u7b97\u65f6\uff0cGU\u3001GV\u3001GW\u4e0d\u53ef\u7cbe\u4fee\uff0c\u56e0\u4e3a\u516c\u5f0f\u8ba1\u7b97\u4f1a\u6709\u6d89\u53ca\uff09\u3002<\/p>\n<p>\uff089\uff09\u5faa\u73af\u5f80\u590d\u81f3\u8fbe\u5230\u6ee1\u610f\u7684\u7cbe\u4fee\u7ed3\u679c\uff0cRietveld\u00a0 \u7cbe\u4fee\u7ed3\u675f\u524d\uff0c\u5e94\u9009\u4e2d\u6240\u6709\u53ef\u4fee\u53c2\u6570\u4e00\u8d77\u7cbe\u4fee\uff0c\u81f3 \u201cCHI**2\u201d \u7a33\u5b9a\uff0c\u81f3\u6b64\u7cbe\u4fee\u90e8\u5206\u7ed3\u675f\u3002<\/p>\n<p><strong><b>\u7b2c\u56db\u6b65\uff1a\u7ed3\u679c\u5bfc\u51fa<\/b><\/strong><\/p>\n<p>1.\u7cbe\u4fee\u6570\u636e\u5bfc\u51fa\uff1a\u70b9\u51fb\u201cliveplot\u201d\u5f39\u51fa\u7cbe\u4fee\u56fe\u8c31\uff0c\u56fe\u8c31\u5de6\u4e0a\u89d2\u9009\u62e9\u201cFile\u201d\u2192\u201cExport plot\u201d\u2192\u201cas.csv\u00a0file\u201d\uff0c\u8f93\u51faExcel\u53ef\u8bfb\u6570\u636e\uff0c\u7136\u540e\u7528\u201cOrigin\u201d\u8f6f\u4ef6\u7b49\u7ed8\u5236\u7cbe\u4fee\u56fe\u8c31\uff08\u56fe10\uff09\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154748 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724713-1.png\" alt=\"\" width=\"625\" height=\"472\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724713-1.png 625w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724713-1-300x227.png 300w\" sizes=\"(max-width: 625px) 100vw, 625px\" \/><\/p>\n<p>2.\u7cbe\u4fee\u540e\u7684 cif \u6587\u4ef6\u5bfc\u51fa\uff1a\u4e3b\u754c\u9762\u70b9\u51fb \u201cImport\/Export\u201d\u2192\u201cCIF Export\u201d\u2192\u201cgsas2cif\u201d ,\u6839\u636e\u754c\u9762\u63d0\u793a\u5bfc\u51fa cif \u6587\u4ef6\u5373\u53ef\uff08\u5207\u8bb0\uff1a\u53ea\u6709\u5728Rietveld\u7ed3\u675f\u524d\u5168\u90e8\u53c2\u6570\u4e00\u8d77\u7cbe\u4fee\uff0c\u624d\u53ef\u5bfc\u51fa cif \u6587\u4ef6\u7684\u6240\u6709\u53c2\u6570\uff09\u3002<\/p>\n<p>3.\u67e5\u770b\u952e\u957f\u3001\u952e\u89d2\u7b49\u4fe1\u606f\uff1a\u201cResults\u201d\u2192\u201cdisagl\u201d\u2192\u201dSave and run DISAGL\u201c\uff0c\u5373\u53ef\u5728\u5728\u72ec\u7acb\u7a97\u53e3\u8f93\u51fa\u952e\u957f\u3001\u952e\u89d2\u4fe1\u606f\uff08\u56fe11\uff09\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-154749 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/09\/\u56fe\u724714-1.png\" alt=\"\" width=\"600\" height=\"162\" 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