{"id":165563,"date":"2019-01-26T06:30:59","date_gmt":"2019-01-25T22:30:59","guid":{"rendered":"\/\/m.iemloyee.com\/?p=165563"},"modified":"2019-04-26T14:16:16","modified_gmt":"2019-04-26T06:16:16","slug":"%e6%8a%80%e6%9c%af%e4%b8%93%e6%a0%8f%ef%bc%9axrd%e7%b2%be%e4%bf%ae%e6%9c%80%e5%bc%ba%e8%be%85%e5%8a%a9%e4%b9%8bcmpr%e8%bd%af%e4%bb%b6%e4%bb%8b%e7%bb%8d%ef%bc%88%e4%ba%8c%ef%bc%89","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=165563","title":{"rendered":"\u6280\u672f\u4e13\u680f\uff1aXRD\u7cbe\u4fee\u6700\u5f3a\u8f85\u52a9\u4e4bCMPR\u8f6f\u4ef6\u4ecb\u7ecd\uff08\u4e8c\uff09"},"content":{"rendered":"<p><strong>\u3010\u5f15\u8bed\u3011<\/strong><\/p>\n<p><strong>\u6280\u672f\u4e13\u680f\uff1a\u4e0d\u5b9a\u671f\u64b0\u5199\u4e00\u4e9b\u6280\u672f\u7c7b\u6587\u7ae0\uff0c\u5305\u62ec\u5206\u6790\u6d4b\u8bd5\u6280\u672f\u3001\u8ba1\u7b97\u6a21\u62df\u6280\u672f\u3001\u79d1\u7814\u6280\u80fd\u7b49\u3002\u60f3\u8981\u66f4\u591a\u6280\u672f\u508d\u8eab\uff0c\u8fd9\u4e2a\u4e13\u680f\u7684\u5185\u5bb9\u4e0d\u5bb9\u9519\u8fc7\u3002<\/strong><\/p>\n<p><strong>\u6750\u6599\u4eba\u73b0\u5728\u8bbe\u7acb\u5404\u79cd\u6587\u7ae0\u4e13\u680f\uff0c\u6240\u6d89\u53ca\u9886\u57df\u6b63\u5728\u6162\u6162\u5b8c\u5584\uff0c\u7531\u6b64\u4e5f\u9700\u8981\u66f4\u591a\u7684\u4e13\u680f\u4f5c\u8005\uff0c\u671f\u5f85\u4f60\u4eec\u7684\u52a0\u5165\uff0c\u6709\u610f\u5411\u7684\u5c0f\u4f19\u4f34\u53ef\u76f4\u63a5\u8054\u7cfbcailiaorenVIP\u3002\u4e0d\u8981\u518d\u72b9\u8c6b\uff0c\u4e0b\u4e00\u4e2a\u4e13\u680f\u521b\u59cb\u4eba\u5c31\u662f\u4f60\u3002\u8bf7\u8bb0\u4f4f\uff1a\u7eb5\u7136\u4f60\u79bb\u6211\u5343\u91cc\u4e07\u91cc\uff0c\u6211\u90fd\u5728\u6750\u6599\u4eba\u7b49\u4f60\uff01<\/strong><\/p>\n<p><strong><b>1 <\/b><\/strong><strong><b>\u5f15\u8a00<\/b><\/strong><\/p>\n<p>\u6e38\u620f\u7684\u80dc\u5229\u9700\u8981\u8f85\u52a9\uff0c\u79d1\u7814\u7684\u987a\u5229\u8fdb\u884c\u4e5f\u9700\u8981\u8f85\u52a9\u3002\u4e00\u4e2a\u4f18\u79c0\u7684\u8f85\u52a9\u53ef\u4ee5\u4f7f\u5f97\u6211\u4eec\u4e8b\u534a\u529f\u500d\u3002\u5f53\u6211\u4eec\u91c7\u7528GSAS\u8f6f\u4ef6\u8fdb\u884cXRD\u7cbe\u4fee\u65f6\uff0c\u4e00\u4e2a\u6709\u529b\u7684\u8f85\u52a9\u5c31\u662fCMPR\u8f6f\u4ef6\uff08\u56fe1\uff09\u3002\u5b83\u662f\u7f8e\u56fd\u56fd\u5bb6\u6807\u51c6\u4e0e\u6280\u672f\u7814\u7a76\u9662\u4e2d\u5b50\u7814\u7a76\u4e2d\u5fc3\u7684Brian H. Toby\u7528Tck\/Tk\u8bed\u8a00\u7f16\u5199\u7684\u4e00\u4e2a\u514d\u8d39\u7684\u5904\u7406\u7c89\u672b\u884d\u5c04\u6570\u636e\u7684\u591a\u529f\u80fd\u8f6f\u4ef6\u3002\u5b83\u53ef\u4ee5\u8fd0\u884c\u5728Windows\uff0cMac\u00a0OS\uff0cLinux\u4ee5\u53caUnix\u7b49\u591a\u4e2a\u5e73\u53f0\u4e0a\u3002CMPR\u53ef\u4ee5\u7528\u6765\u663e\u793a\u884d\u5c04\u6570\u636e\uff0c\u8f6c\u6362\u7c89\u672b\u884d\u5c04\u6587\u4ef6\u683c\u5f0f\uff0c\u8fdb\u884c\u624b\u52a8\/\u81ea\u52a8\u6307\u6807\u5316\uff0c\u62df\u5408\u5cf0\u5f62\uff0c\u8f6c\u51faGASA\u7ed3\u679c\u4ee5\u53ca\u5176\u4ed6\u5de5\u4f5c\u3002\u9274\u4e8e\u5176\u7b80\u5355\uff0c\u6613\u5b66\u4ee5\u53ca\u5b9e\u7528\u7684\u7279\u70b9\uff0c\u672c\u6587\u5c31\u548c\u5927\u5bb6\u4e00\u8d77\u6765\u5b66\u4e60\u4e00\u4e0bCMPR\u8f6f\u4ef6\u3002<\/p>\n<p>\u56fe1\u00a0CMPR\u8f6f\u4ef6<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165568 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u72478-17.png\" alt=\"\" width=\"132\" height=\"139\" \/><\/p>\n<p><strong><b>2<\/b><\/strong><strong><b>\u00a0<\/b><\/strong><strong><b>\u5b89\u88c5\u4ecb\u7ecd<\/b><\/strong><\/p>\n<p>\u9996\u5148\u4e3a\u5927\u5bb6\u4ecb\u7ecdCMPR\u8f6f\u4ef6\u7684\u5b89\u88c5\u8fc7\u7a0b\uff0c\u672c\u6587\u4ee5Windows\u7cfb\u7edf\u4e3a\u4f8b\u3002<\/p>\n<p><strong>A\u00a0<\/strong>\u4e0b\u8f7d\u76f8\u5e94\u7535\u8111\u7cfb\u7edf\u7684CMPR\u8f6f\u4ef6\u5b89\u88c5\u5305\uff0c\u5730\u5740\u5982\u56fe2\u4e2d\u7684\u4e8c\u7ef4\u7801\u6240\u793a\uff1b<\/p>\n<p>\u56fe2 CMPR\u4e0b\u8f7d\u5730\u5740<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165569 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u72479-16.png\" alt=\"\" width=\"271\" height=\"270\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u72479-16.png 271w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u72479-16-150x150.png 150w\" sizes=\"(max-width: 271px) 100vw, 271px\" \/><\/p>\n<p><strong>B\u00a0<\/strong>\u9009\u62e9\u4e0b\u8f7dcmpr_win_static.zip\u6587\u4ef6\uff1b<\/p>\n<p>\u56fe3 \u9009\u62e9cmpr_win_static.zip\u6587\u4ef6\u4e0b\u8f7d<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165570 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724710-15.png\" alt=\"\" width=\"291\" height=\"146\" \/><strong>C\u00a0<\/strong>\u5c06\u538b\u7f29\u5305\u5728\u4efb\u610f\u78c1\u76d8\u4e0b\u7684\u4efb\u610f\u4f4d\u7f6e\u89e3\u538b\uff08\u8be5\u4f4d\u7f6e\u6700\u597d\u4e0d\u8981\u542b\u6709\u4e2d\u6587\u6216\u8005\u7a7a\u683c\uff09\uff0c\u53cc\u51fbStartCMPR.bat\u5373\u53ef\u8fd0\u884c\u7a0b\u5e8f\uff1b<\/p>\n<p>\u56fe4\u00a0CMPR\u8f6f\u4ef6\u7684\u542f\u52a8\u56fe\u6807<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165571 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724711-14.png\" alt=\"\" width=\"276\" height=\"189\" \/><\/p>\n<p><strong>\u00a0D\u00a0<\/strong>\u521b\u5efa\u5feb\u6377\u65b9\u5f0f\u5e76\u66f4\u6539\u56fe\u6807\uff1a\u53f3\u51fbStartCMPR.bat\uff0c\u9009\u62e9\u521b\u5efa\u5feb\u6377\u65b9\u5f0f\uff0c\u7136\u540e\u79fb\u52a8\u5230\u684c\u9762\uff0c\u53f3\u51fb\u5feb\u6377\u65b9\u5f0f\u9009\u62e9\u5c5e\u6027\u5e76\u66f4\u6539\u56fe\u6807\uff0c\u7136\u540e\u9009\u62e9\u89e3\u538b\u51fa\u6765\u7684\u6587\u4ef6\u4e2d\u7684cmpr.ico\u56fe\u6807\u6587\u4ef6\u5c31\u53ef\u5f97\u5230\u5982\u56fe5(c)\u6240\u793a\u7684\u5feb\u6377\u65b9\u5f0f\u4e86\u3002<\/p>\n<p>\u56fe5 \u521b\u5efa\u5feb\u6377\u65b9\u5f0f\u5e76\u66f4\u6539\u56fe\u6807<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165572 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724712-10.png\" alt=\"\" width=\"530\" height=\"176\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724712-10.png 530w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724712-10-300x100.png 300w\" sizes=\"(max-width: 530px) 100vw, 530px\" \/><\/p>\n<p><strong><b>3<\/b><\/strong><strong><b>\u00a0<\/b><\/strong><strong><b>\u8f6f\u4ef6\u754c\u9762\u7b80\u4ecb<\/b><\/strong><\/p>\n<p>\u6253\u5f00\u8f6f\u4ef6\u540e\u7684\u754c\u9762\u5982\u56fe6\u6240\u793a\uff0c\u5b83\u53ef\u4ee5\u5206\u4e3a\u4e24\u4e2a\u90e8\u5206\u3002\u4e00\u4e2a\u662f\u4e3b\u7a0b\u5e8f\u7a97\u53e3\uff0c\u7528\u6765\u8fdb\u884c\u63a7\u5236\u548c\u64cd\u4f5c\uff0c\u4e00\u4e2a\u662f\u7ed8\u56fe\u7a97\u53e3\uff0c\u7528\u6765\u663e\u793a\u884d\u5c04\u7ed3\u679c\u56fe\u5f62\u3002\u5176\u4e2d\uff0c\u4e3b\u7a0b\u5e8f\u7a97\u53e3\u4e3b\u8981\u7531\u83dc\u5355\u680f\u548c\u5404\u4e2a\u529f\u80fd\u533a\u6784\u6210\uff0c\u901a\u8fc7\u5728\u5404\u4e2a\u529f\u80fd\u533a\u4e4b\u95f4\u5207\u6362\u5c31\u53ef\u4ee5\u5b9e\u73b0\u5404\u79cd\u4e0d\u540c\u7684\u529f\u80fd\u3002<\/p>\n<p>\u56fe6 CMPR\u8f6f\u4ef6\u754c\u9762<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165574 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724713-10.png\" alt=\"\" width=\"600\" height=\"288\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724713-10.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724713-10-300x144.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong><b>4<\/b><\/strong><strong><b>\u00a0<\/b><\/strong><strong><b>C<\/b><\/strong><strong><b>MPR<\/b><\/strong><strong><b>\u5728XRD\u7cbe\u4fee\u4e2d\u7684\u4f5c\u7528<\/b><\/strong><\/p>\n<p>4.1 \u8f6c\u6362\u6570\u636e\u683c\u5f0f<\/p>\n<p>CMPR\u51e0\u4e4e\u53ef\u4ee5\u8bfb\u53d6\u6240\u6709\u7c7b\u578b\u7684XRD\u6570\u636e\uff0c\u5e76\u5c06\u5176\u8f6c\u6362\u4e3a\u5176\u4ed6\u683c\u5f0f\u7684\u6570\u636e\uff0c\u4ee5\u4fbf\u64cd\u4f5c\u8005\u4f7f\u7528\uff0c\u4e0b\u9762\u91cd\u70b9\u4ecb\u7ecd\u4e00\u4e0b\u5c06XRD\u884d\u5c04\u6570\u636e\u8f6c\u6362\u4e3aGSAS\u652f\u6301\u7684\u201c.gsas\u201d\u6587\u4ef6\u7684\u64cd\u4f5c\u65b9\u6cd5\u3002<\/p>\n<p>A\u00a0\u8bfb\u53d6\u6570\u636e\u3002\u5982\u56fe7\u6240\u793a\uff0c\u7b2c1\u6b65\u9009\u62e9\u8bfb\u53d6Read\u6a21\u5757\uff0c\u7b2c2\u6b65\u662f\u9009\u62e9\u6587\u4ef6\u7c7b\u578b\uff0c\u7b2c3\u6b65\u662f\u9009\u62e9\u6240\u9700\u6587\u4ef6\uff0c\u6570\u636e\u8bfb\u5165\u540e\u5c31\u4f1a\u5728\u7ed8\u56fe\u7a97\u53e3\u663e\u793a\u5904\u884d\u5c04\u56fe\u3002CMPR\u652f\u6301\u7684\u6587\u4ef6\u7c7b\u578b\u5982\u56fe8\u6240\u793a\u3002\u5982\u679c\u6ca1\u6709\u4f60\u9700\u8981\u7684\u7c7b\u578b\uff0c\u5982\u56fe9\u6240\u793a\uff0c\u53ea\u9700\u8981\u5c06\u4f60\u7684XRD\u6570\u636e\u590d\u5236\u5230\u4e00\u4e2a\u7a7a\u767dtxt\u6587\u4ef6\u91cc\u9762\uff08\u53ea\u590d\u52362theta\u548cintensity\u4e24\u5217\uff09\uff0c\u7136\u540e\u91cd\u547d\u540d\u4e3a.dat\u6587\u4ef6\uff0c\u6700\u540e\u9009\u62e9\u8bfb\u53d6\u683c\u5f0f\u4e3aXY data (ascii)\u5373\u53ef\u987a\u5229\u8bfb\u53d6\u3002<\/p>\n<p>\u56fe7\u00a0\u8bfb\u53d6\u6570\u636e\u6a21\u5757<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165575 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724714-8.png\" alt=\"\" width=\"600\" height=\"334\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724714-8.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724714-8-300x167.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u56fe8 CMPR\u652f\u6301\u7684\u53ef\u4ee5\u76f4\u63a5\u8bfb\u53d6\u7684\u6587\u4ef6\u683c\u5f0f<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165576 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724715-6.png\" alt=\"\" width=\"600\" height=\"286\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724715-6.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724715-6-300x143.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u56fe9\u00a0\u5c06XRD\u6570\u636e\u590d\u5236\u5230XXX.txt\u6587\u4ef6\u91cc\u9762\u5e76\u547d\u540d\u4e3aXXX.dat<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165577 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724716-5.png\" alt=\"\" width=\"600\" height=\"311\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724716-5.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724716-5-300x156.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>B\u00a0\u8f6c\u6362\u6570\u636e\u3002\u5982\u56fe10\u6240\u793a\uff0c\u9009\u62e9Write\u9009\u9879\u5361\uff0c\u7136\u540e\u9009\u62e9\u6587\u4ef6\uff0c\u968f\u540e\u7b2c3\u6b65\u9009\u62e9\u6587\u4ef6\u683c\u5f0f\u4e3aSimple gsas with esds (.gsas)\uff0c\u7136\u540e\u9009\u62e9\u6587\u4ef6\u4f4d\u7f6e\uff0c\u6700\u540e\u70b9\u51fbWrite\u00a0Selected\u00a0Datasets\uff0c\u8fd9\u65f6\u4f1a\u5f39\u51fa\u6587\u4ef6\u521b\u5efa\u6210\u529f\u7684\u5bf9\u8bdd\u6846\uff08\u5982\u56fe11\uff09\u3002\u53ef\u4ee5\u770b\u5230\uff0cCMPR\u53ef\u4ee5\u8fdb\u884c\u591a\u79cd\u6570\u636e\u683c\u5f0f\u7684\u8f6c\u6362\u64cd\u4f5c\u3002<\/p>\n<p>\u56fe10 \u8f6c\u5316\u6570\u636e\u683c\u5f0f<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165578 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724717-5.png\" alt=\"\" width=\"600\" height=\"331\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724717-5.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724717-5-300x166.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u56fe11 \u8f6c\u6362\u5b8c\u6210\u5bf9\u8bdd\u6846<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165579 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724718-4.png\" alt=\"\" width=\"600\" height=\"331\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724718-4.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724718-4-300x166.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>4.2 \u8f6c\u6362\u8f93\u51faGSAS\u7cbe\u4fee\u7ed3\u679c<\/p>\n<p>CMPR\u8fd8\u53ef\u4ee5\u7528\u6765\u8bfb\u53d6GSAS\u7684.exp\u6587\u4ef6\uff0c\u5e76\u5c06\u7cbe\u4fee\u6570\u636e\u8f93\u51fa\u4e3a\u53ef\u7528Excel\u6253\u5f00\u7684.csv\u6587\u4ef6\u3002\u4e3b\u8981\u64cd\u4f5c\u8fc7\u7a0b\u5982\u4e0b\u6240\u793a\u3002<\/p>\n<p><strong>A\u00a0<\/strong>\u5982\u56fe12\u6240\u793a\uff0c\u6253\u5f00CMPR\uff0c\u8bfb\u53d6.exp\u6587\u4ef6\uff1b<\/p>\n<p>\u56fe12 \u8bfb\u53d6.exp\u6587\u4ef6<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165580 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724719-4.png\" alt=\"\" width=\"600\" height=\"331\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724719-4.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724719-4-300x166.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong>B\u00a0<\/strong>\u8f6c\u5230Write\u529f\u80fd\uff0c\u9009\u62e9\u67d0\u4e00\u4e2a\u6216\u8005\u5168\u90e8\u7684\u6587\u4ef6\uff08\u6b65\u9aa42\uff09\uff0c\u7136\u540e\u9009\u62e9\u8f93\u51fa\u6587\u4ef6\u683c\u5f0f\u4e3a.csv\uff08\u6b65\u9aa43\uff09\uff0c\u9009\u62e9\u6587\u4ef6\u5939\u540e\u70b9\u51fbWrite\u00a0Selected\u00a0Datasets\u5373\u53ef\u8f93\u51fa\u6587\u4ef6\u3002<\/p>\n<p>\u56fe13 \u8f93\u51fa\u7cbe\u4fee\u7ed3\u679c<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165581 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724720-3.png\" alt=\"\" width=\"600\" height=\"331\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724720-3.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724720-3-300x166.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong><b>5<\/b><\/strong><strong><b>\u00a0<\/b><\/strong><strong><b>C<\/b><\/strong><strong><b>MPR<\/b><\/strong><strong><b>\u7684\u5176\u4ed6\u529f\u80fd<\/b><\/strong><\/p>\n<p>\u9664\u4e86\u4e0a\u9762\u6240\u4ecb\u7ecd\u7684\u529f\u80fd\uff0c\u6211\u4eec\u8fd8\u53ef\u4ee5\u5229\u7528\u5176\u5b83\u529f\u80fd\u9009\u9879\u5361\u6765\u5b8c\u6210\u5176\u5b83\u7684\u5de5\u4f5c\uff0c\u73b0\u5bf9\u5176\u4e2d\u7684\u4e00\u4e9b\u529f\u80fd\u8fdb\u884c\u7b80\u8981\u7684\u4ecb\u7ecd\u3002<\/p>\n<p>5.1 Plot\u7ed8\u56fe\u529f\u80fd<\/p>\n<p>\u8be5\u529f\u80fd\u4e3b\u8981\u7528\u4e8e\u67e5\u770b\u5bfc\u5165\u7684\u6570\u636e\u3002\u901a\u8fc7Plot\u9009\u9879\u5361\uff0c\u53ef\u4ee5\u5c06\u5bfc\u5165\u7684\u6570\u636e\u8fdb\u884c\u7ed8\u56fe\uff0c\u4e00\u822c\u60c5\u51b5\u4e0b\uff0c\u8f6f\u4ef6\u4f1a\u81ea\u52a8\u5bf9\u6700\u8fd1\u5bfc\u5165\u7684\u6570\u636e\u8fdb\u884c\u7ed8\u56fe\uff0c\u5982\u679c\u9700\u8981\u9009\u62e9\u7ed8\u56fe\u7684\u6570\u636e\uff0c\u53ea\u9700\u8981\u5728Plot\u9009\u9879\u5361\u4e0b\u9009\u62e9\u6240\u9700\u7ed8\u56fe\u6570\u636e\uff0c\u7136\u540e\u70b9\u51fbUpdate\u00a0Plot\u5373\u53ef\u5728\u7ed8\u56fe\u7a97\u53e3\u67e5\u770b\u56fe\u5f62\u3002\u5728\u7ed8\u56fe\u7a97\u53e3\u4e0a\u4f7f\u7528\u5de6\u952e\u7ed8\u5236\u77e9\u5f62\u7a97\u53e3\u5373\u53ef\u5b9e\u73b0\u653e\u5927\uff0c\u53f3\u51fb\u5373\u53ef\u6062\u590d\u3002\u6b64\u5916\uff0c\u5728\u82f1\u6587\u8f93\u5165\u6cd5\u7684\u72b6\u6001\u4e0b\uff0c\u6309\u201cL\u201d\u5373\u53ef\u663e\u793a\u51fa\u6570\u636e\u8bfb\u53d6\u5149\u6807\u3002<\/p>\n<p>5.2 Rescale\u529f\u80fd<\/p>\n<p>\u5728Rescale\u529f\u80fd\u533a\u53ef\u4ee5\u63a7\u5236X\u8f74\u548cY\u8f74\u7684\u5750\u6807\u5355\u4f4d\uff0c\u4ece\u800c\u4ee5\u4e0d\u540c\u7684\u65b9\u5f0f\u6765\u663e\u793aXRD\u6570\u636e\u3002\u6b64\u5916\u8fd8\u53ef\u4ee5\u8fdb\u884c\u653e\u5927\u4ee5\u53ca\u504f\u79fb\u7684\u8c03\u6574\u3002<\/p>\n<p>\u56fe14 Rescale\u529f\u80fd<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-165582 size-full aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724721-3.png\" alt=\"\" width=\"600\" height=\"331\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724721-3.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2019\/01\/\u56fe\u724721-3-300x166.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>5.3 \u8fdb\u884c\u5cf0\u5f62\u53c2\u6570\u7684\u62df\u5408<\/p>\n<p>\u91c7\u7528CMPR\u8f6f\u4ef6\u4e2d\u7684Fit\u548cFitWidths\u529f\u80fd\u8fd8\u53ef\u4ee5\u8fdb\u884c\u5cf0\u5f62\u53c2\u6570\u62df\u5408\uff0c\u4ece\u800c\u5f97\u5230GSAS\u7cbe\u4fee\u7684\u521d\u59cbU, V, W, LX\u548cLY\u3002<\/p>\n<p>5.4 \u8fdb\u884c\u6307\u6807\u5316\u5de5\u4f5c<\/p>\n<p>\u884d\u5c04\u7ebf\u7684\u6307\u6807\u5316\u5c31\u662f\u6807\u5b9a\u884d\u5c04\u7ebf\u7684\u6307\u6570\u3002\u5728Index\u9009\u9879\u5361\u53ef\u4ee5\u8fdb\u884c\u6307\u6807\u5316\u5de5\u4f5c\u3002\u5b83\u5171\u5305\u542b3\u4e2a\u81ea\u52a8\u6307\u6807\u5316\u8f6f\u4ef6\uff1aITO\uff0cTREOR\u548cDICVOL\u3002\u5b83\u4eec\u53ef\u4ee5\u7528\u6765\u8fdb\u884c\u67e5\u627e\u5355\u4f4d\u6676\u80de\u5e76\u5bf9\u884d\u5c04\u5cf0\u8fdb\u884c\u6307\u6807\u5316\u3002\u9664\u4e86CMPR\uff0c\u4e5f\u53ef\u4ee5\u91c7\u7528CRYSFIRE\u8f6f\u4ef6\u6765\u8fdb\u884c\u81ea\u52a8\u6307\u6807\u5316\u5de5\u4f5c\u3002<\/p>\n<p>\u5982\u679c\u5927\u5bb6\u4f7f\u7528\u4e86\u8be5\u8f6f\u4ef6\uff0c\u8bf7\u5728\u5de5\u4f5c\u4e2d\u5f15\u7528\u8f6f\u4ef6\u5236\u4f5c\u8005Brian Toby\u7684\u6587\u7ae0\uff1aToby, B. H. (2005). &#8220;CMPR &#8211; a powder diffraction toolkit,&#8221; Journal of Applied Crystallography 38, 1040-1041\uff0c\u8be5\u8f6f\u4ef6\u7684\u4f5c\u8005\u4eba\u5f88\u597d\uff0c\u5927\u5bb6\u6709\u4ec0\u4e48\u95ee\u9898\u4e5f\u53ef\u4ee5\u901a\u8fc7\u90ae\u4ef6\u8054\u7cfb\u4ed6\u8001\u4eba\u5bb6\uff08<a href=\"mailto:brian.toby@anl.gov\"><u>brian.toby@anl.gov<\/u><\/a>\uff09\u3002<\/p>\n<p>\u9644\uff1a\u51fa\u4e8e\u603b\u7ed3\uff0c\u4ea4\u6d41\uff0c\u5b66\u4e60\u7684\u76ee\u7684\uff0c\u672c\u6587\u5c3d\u53ef\u80fd\u8be6\u7ec6\u7684\u5bf9CMPR\u8f6f\u4ef6\u8fdb\u884c\u4e86\u4ecb\u7ecd\uff0c\u5e0c\u671b\u80fd\u8ba9\u521d\u5b66\u8005\u5c3d\u5feb\u4e86\u89e3\u8be5\u8f6f\u4ef6\u7684\u4f7f\u7528\uff0c\u5e76\u5e0c\u671b\u70ed\u5fc3\u7684\u5b66\u4e60\u8005\u548c\u5e7f\u5927\u7f51\u53cb\u80fd\u591f\u8fdb\u884c\u5206\u4eab\u4f20\u9012\u3002\u5c3d\u7ba1\u672c\u6587\u4f5c\u8005\u5df2\u7ecf\u5c3d\u5fc3\u8003\u7a76\uff0c\u4f46\u96be\u514d\u5b58\u5728\u9519\u6f0f\u4e4b\u5904\uff0c\u6b22\u8fce\u5927\u5bb6\u6307\u51fa\u4ea4\u6d41\uff0c\u4f5c\u8005\u611f\u6fc0\u4e0d\u5c3d\u3002<\/p>\n<p>\u2014\u672c\u6587\u5b8c\u2014<\/p>\n<p>\u5f80\u671f\u56de\u987e\uff1a<\/p>\n<p><a href=\"\/\/m.iemloyee.com\/164984.html\">\u6280\u672f\u4e13\u680f\uff1aXRD\u7cbe\u4fee\u4eea\u5668\u53c2\u6570\u6587\u4ef6\u7684\u83b7\u53d6\u53ca\u8c03\u6574\uff08\u4e00\uff09<\/a><\/p>\n<p><a href=\"\/\/m.iemloyee.com\/163614.html\">\u6280\u672f\u4e13\u680f\uff1a\u4e00\u7bc7\u6587\u7ae0\u641e\u61c2\u6676\u4f53\u5b66\u4fe1\u606f\u6587\u4ef6CIF\u53ca\u5176\u83b7\u53d6\u65b9\u6cd5<\/a><\/p>\n<p>\u672c\u6587\u7531<strong><b>\u6750\u6599\u4eba\u4e13\u680f\u4f5c\u8005\u738b\u535a\u96c5<\/b><\/strong><strong><b>\u4f9b\u7a3f<\/b><\/strong>\uff0c\u7f16\u8f91\u90e8\u7f16\u8f91\u3002<\/p>\n<p>\u6b22\u8fce\u5927\u5bb6\u5230\u6750\u6599\u4eba\u5ba3\u4f20\u79d1\u6280\u6210\u679c\u5e76\u5bf9\u6587\u732e\u8fdb\u884c\u6df1\u5165\u89e3\u8bfb\uff0c\u6295\u7a3f\u90ae\u7bb1: tougao@cailiaoren.com.<\/p>\n<p>\u6295\u7a3f\u4ee5\u53ca\u5185\u5bb9\u5408\u4f5c\u53ef\u52a0\u7f16\u8f91\u5fae\u4fe1\uff1acailiaorenVIP.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3010\u5f15\u8bed\u3011 \u6280\u672f\u4e13\u680f\uff1a\u4e0d\u5b9a\u671f\u64b0\u5199\u4e00\u4e9b\u6280\u672f\u7c7b\u6587\u7ae0\uff0c\u5305\u62ec\u5206\u6790\u6d4b\u8bd5\u6280\u672f\u3001\u8ba1\u7b97\u6a21\u62df\u6280\u672f\u3001\u79d1\u7814\u6280\u80fd\u7b49\u3002\u60f3\u8981\u66f4\u591a\u6280\u672f\u508d\u8eab\uff0c\u8fd9\u4e2a\u4e13\u680f\u7684\u5185\u5bb9\u4e0d\u5bb9\u9519\u8fc7\u3002 \u6750\u6599\u4eba\u73b0\u5728\u8bbe\u7acb\u5404\u79cd\u6587\u7ae0\u4e13\u680f&#8230;<\/p>\n","protected":false},"author":10213,"featured_media":174194,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1187],"tags":[],"class_list":["post-165563","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-zhuanlan"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/165563"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/10213"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=165563"}],"version-history":[{"count":9,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/165563\/revisions"}],"predecessor-version":[{"id":167225,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/165563\/revisions\/167225"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/174194"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=165563"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=165563"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=165563"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}