- Timestamp:
- Apr 19, 2017 12:21:47 PM (7 years ago)
- Location:
- Tutorials/SAseqref
- Files:
-
- 6 added
- 6 deleted
- 2 edited
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Tutorials/SAseqref/Sequential Refinement of Small Angle Scattering Data.htm
r2390 r2794 24 24 <o:DocumentProperties> 25 25 <o:Author>Von Dreele</o:Author> 26 <o:LastAuthor> Von Dreele</o:LastAuthor>27 <o:Revision> 19</o:Revision>28 <o:TotalTime>2 550</o:TotalTime>26 <o:LastAuthor>vondreele</o:LastAuthor> 27 <o:Revision>20</o:Revision> 28 <o:TotalTime>2626</o:TotalTime> 29 29 <o:Created>2014-05-03T14:24:00Z</o:Created> 30 <o:LastSaved>201 6-07-28T18:48:00Z</o:LastSaved>31 <o:Pages> 1</o:Pages>32 <o:Words>153 1</o:Words>33 <o:Characters>87 30</o:Characters>30 <o:LastSaved>2017-04-19T17:19:00Z</o:LastSaved> 31 <o:Pages>26</o:Pages> 32 <o:Words>1538</o:Words> 33 <o:Characters>8773</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 <o:Lines>7 2</o:Lines>35 <o:Lines>73</o:Lines> 36 36 <o:Paragraphs>20</o:Paragraphs> 37 <o:CharactersWithSpaces>102 41</o:CharactersWithSpaces>37 <o:CharactersWithSpaces>10291</o:CharactersWithSpaces> 38 38 <o:Version>16.00</o:Version> 39 39 </o:DocumentProperties> … … 48 48 <!--[if gte mso 9]><xml> 49 49 <w:WordDocument> 50 <w:View>Print</w:View> 50 51 <w:SpellingState>Clean</w:SpellingState> 51 52 <w:GrammarState>Clean</w:GrammarState> … … 660 661 /* Font Definitions */ 661 662 @font-face 663 {font-family:"Cambria Math"; 664 panose-1:2 4 5 3 5 4 6 3 2 4; 665 mso-font-charset:1; 666 mso-generic-font-family:roman; 667 mso-font-pitch:variable; 668 mso-font-signature:0 0 0 0 0 0;} 669 @font-face 662 670 {font-family:Calibri; 663 671 panose-1:2 15 5 2 2 2 4 3 2 4; … … 665 673 mso-generic-font-family:swiss; 666 674 mso-font-pitch:variable; 667 mso-font-signature:-5368 70145 1073786111 1 0 4150;}675 mso-font-signature:-536859905 -1073732485 9 0 511 0;} 668 676 @font-face 669 677 {font-family:Tahoma; … … 1175 1183 mso-ascii-theme-font:minor-latin; 1176 1184 mso-hansi-font-family:Calibri; 1177 mso-hansi-theme-font:minor-latin;} 1185 mso-hansi-theme-font:minor-latin; 1186 mso-bidi-font-family:"Times New Roman"; 1187 mso-bidi-theme-font:minor-bidi;} 1178 1188 table.MsoTableGrid 1179 1189 {mso-style-name:"Table Grid"; … … 1228 1238 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Use 1229 1239 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1230 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family: 1231 Calibri;mso-bidi-theme-font:minor-latin'>Import/Small Angle Data/from q (A-1) 1232 step X-ray QIE data file</span></b> menu item to read the data files into 1233 GSAS-II. This read option is set to read three column small angle scattering 1234 data (SASD) as Q in Å<sup>-1</sup>, intensity and estimated standard deviation 1235 in intensity; there may be a header with metadata information in the front of 1236 this file.<span style='mso-spacerun:yes'> </span>It will read multiple files 1237 from a single directory. Change the file directory to <span class=SpellE><b 1238 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1239 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family: 1240 Calibri;mso-bidi-theme-font:minor-latin'>SAseqref</span></b></span><b 1241 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1242 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family: 1243 Calibri;mso-bidi-theme-font:minor-latin'>/data</span></b><span 1244 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1245 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: 1240 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 1241 minor-latin'>Import/Small Angle Data/from q (A-1) step X-ray QIE data file</span></b> 1242 menu item to read the data files into GSAS-II. This read option is set to read 1243 three column small angle scattering data (SASD) as Q in Å<sup>-1</sup>, 1244 intensity and estimated standard deviation in intensity; there may be a header 1245 with metadata information in the front of this file.<span 1246 style='mso-spacerun:yes'> </span>It will read multiple files from a single 1247 directory. Change the file directory to <span class=SpellE><b style='mso-bidi-font-weight: 1248 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1249 minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>SAseqref</span></b></span><b 1250 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1251 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 1252 minor-latin'>/data</span></b><span style='font-family:"Calibri",sans-serif; 1253 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-theme-font: 1246 1254 minor-latin'> to find the files.</span></p> 1247 1255 … … 1250 1258 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select 1251 1259 the six<span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1252 mso-hansi-theme-font:minor-latin;mso-bidi- font-family:Calibri;mso-bidi-theme-font:1253 minor-latin'> data</span> files with <span class=SpellE><b style='mso-bidi-font-weight: 1254 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1255 m inor-latin;mso-hansi-theme-font:minor-latin'>Ludox</span></b></span> in their1256 name in thefirst dialog and press <b style='mso-bidi-font-weight:normal'><span1257 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1258 mso-hansi-theme-font:minor-latin;mso-bidi- font-family:Calibri;mso-bidi-theme-font:1259 minor-latin'>Open</span></b>. All six will immediately be read into GSAS-II; 1260 you will have to select the <b style='mso-bidi-font-weight:normal'><span 1261 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1262 mso-hansi-theme-font:minor-latin'>any file(*.*)</span></b> filter to see them.</p>1260 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'> data</span> 1261 files with <span class=SpellE><b style='mso-bidi-font-weight:normal'><span 1262 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1263 mso-hansi-theme-font:minor-latin'>Ludox</span></b></span> in their name in the 1264 first dialog and press <b style='mso-bidi-font-weight:normal'><span 1265 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1266 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Open</span></b>. 1267 All six will immediately be read into GSAS-II; you will have to select the <b 1268 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1269 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>any file 1270 (*.*)</span></b> filter to see them.</p> 1263 1271 1264 1272 <p class=MsoListParagraphCxSpLast><o:p> </o:p></p> … … 1266 1274 <p class=MsoNormal>At this point the <b style='mso-bidi-font-weight:normal'><span 1267 1275 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1268 mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Calibri;mso-bidi-theme-font: 1269 minor-latin'>GSAS-II data tree</span></b> window will have several entries and 1270 the plot window will show the SASD pattern for one as a log-log plot of 1271 intensity vs. Q; enter <b style='mso-bidi-font-weight:normal'><span 1272 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1273 mso-hansi-theme-font:minor-latin'>m</span></b> on the plot. Now all are shown; 1274 one shows error bars (<b style='mso-bidi-font-weight:normal'><span 1275 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1276 mso-hansi-theme-font:minor-latin'>SASD S49_Ludox6_1pct.dat</span></b>) as it is 1277 the selected tree entry and the others as lines.</p> 1276 mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>GSAS-II data 1277 tree</span></b> window will have several entries and the plot window will show 1278 the SASD pattern for one as a log-log plot of intensity vs. Q; enter <b 1279 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1280 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>m</span></b> 1281 on the plot. Now all are shown; one shows error bars (<b style='mso-bidi-font-weight: 1282 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1283 minor-latin;mso-hansi-theme-font:minor-latin'>SASD S49_Ludox6_1pct.dat</span></b>) 1284 as it is the selected tree entry and the others as lines.</p> 1278 1285 1279 1286 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shapetype … … 1320 1327 1321 1328 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1322 id="_x0000_i1055" type="#_x0000_t75" style='width:225pt;height: 195pt;1329 id="_x0000_i1055" type="#_x0000_t75" style='width:225pt;height:96.75pt; 1323 1330 visibility:visible;mso-wrap-style:square'> 1324 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 02.png"1325 o:title=""/> 1326 </v:shape><![endif]--><![if !vml]><img width=300 height= 2601327 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 02.png"1331 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image033.png" 1332 o:title=""/> 1333 </v:shape><![endif]--><![if !vml]><img width=300 height=129 1334 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image033.png" 1328 1335 v:shapes="_x0000_i1055"><![endif]></span><span 1329 1336 style='mso-spacerun:yes'> </span></p> … … 1333 1340 <p class=MsoNormal>To copy these limits to the other data sets use the <b 1334 1341 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1335 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit /Copy</span></b>1342 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit Limits/Copy</span></b> 1336 1343 command from the data window menu; a popup window will give the selection of 1337 1344 targets.<br> … … 1366 1373 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1367 1374 mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span 1368 style='mso-no-proof:yes'>; this is read after Substances.py when you load 1369 substances for your selection. </span>Select <b style='mso-bidi-font-weight: 1370 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1371 minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> from the 1372 GSAS-II tree. Then do <b style='mso-bidi-font-weight:normal'><span 1373 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1374 mso-hansi-theme-font:minor-latin'>Edit/Load</span></b> substance from the menu; 1375 a popup window will appear with possible selections</p> 1375 style='mso-no-proof:yes'>; this is read after Substances.py when you load substances 1376 for your selection. </span>Select <b style='mso-bidi-font-weight:normal'><span 1377 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1378 mso-hansi-theme-font:minor-latin'>Substances</span></b> from the GSAS-II tree. 1379 Then do <span class=GramE><b style='mso-bidi-font-weight:normal'><span 1380 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1381 mso-hansi-theme-font:minor-latin'>Edit</span></b></span><b style='mso-bidi-font-weight: 1382 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1383 minor-latin;mso-hansi-theme-font:minor-latin'> substance/Load substance</span></b> 1384 from the menu; a popup window will appear with possible selections</p> 1376 1385 1377 1386 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape … … 1395 1404 1396 1405 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1397 id=" Picture_x0020_28" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:259.5pt;1398 height:195pt;visibility:visible;mso-wrap-style:square'>1399 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 05.png"1400 o:title=""/> 1401 </v:shape><![endif]--><![if !vml]><img width=3 46 height=2601402 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 05.png"1403 v:shapes=" Picture_x0020_28"><![endif]></span><span1406 id="_x0000_i1052" type="#_x0000_t75" style='width:280.5pt;height:246pt; 1407 visibility:visible;mso-wrap-style:square'> 1408 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image034.png" 1409 o:title=""/> 1410 </v:shape><![endif]--><![if !vml]><img width=374 height=328 1411 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image034.png" 1412 v:shapes="_x0000_i1052"><![endif]></span><span 1404 1413 style='mso-spacerun:yes'> </span></p> 1405 1414 … … 1407 1416 1408 1417 <p class=MsoNormal>If desired, you can load/add as many substances as you want 1409 to this list; you can also delete any of them (except vacuum). The composition, 1410 volume occupied by the atoms in the composition and the density are given for 1411 each substance. These can each be edited; the other values will change 1412 accordingly. Since silica wasnt in the list of known substances, do <b 1413 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1414 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit/Add 1415 substance</span></b> to create it; you will be asked for a name enter <b 1416 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1417 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>silica</span></b> 1418 and then a periodic table of the elements will be shown. Select <b 1419 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1420 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Si</span></b> 1421 and <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1422 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>O</span></b></p> 1423 1424 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1425 id="_x0000_i1051" type="#_x0000_t75" style='width:435pt;height:270pt; 1426 visibility:visible;mso-wrap-style:square'> 1418 to this list; you can also delete any of them (except vacuum or unit scatter). 1419 The composition, volume occupied by the atoms in the composition and the 1420 density are given for each substance. These can each be edited; the other 1421 values will change accordingly. Since silica wasnt in the list of known 1422 substances, do <b style='mso-bidi-font-weight:normal'><span style='font-family: 1423 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 1424 minor-latin'>Edit substance/Add substance</span></b> to create it; you will be 1425 asked for a name enter <b style='mso-bidi-font-weight:normal'><span 1426 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1427 mso-hansi-theme-font:minor-latin'>silica</span></b> and then a periodic table 1428 of the elements will be shown. Select <b style='mso-bidi-font-weight:normal'><span 1429 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1430 mso-hansi-theme-font:minor-latin'>Si</span></b> and <b style='mso-bidi-font-weight: 1431 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1432 minor-latin;mso-hansi-theme-font:minor-latin'>O</span></b></p> 1433 1434 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1435 id="Picture_x0020_6" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:435pt; 1436 height:270pt;visibility:visible;mso-wrap-style:square'> 1427 1437 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png" 1428 1438 o:title=""/> 1429 1439 </v:shape><![endif]--><![if !vml]><img width=580 height=360 1430 1440 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png" 1431 v:shapes=" _x0000_i1051"><![endif]></span><span1441 v:shapes="Picture_x0020_6"><![endif]></span><span 1432 1442 style='mso-spacerun:yes'> </span></p> 1433 1443 … … 1440 1450 1441 1451 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1442 id="Picture_x0020_3 0" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:259.5pt;1443 height: 282.75pt;visibility:visible;mso-wrap-style:square'>1444 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 07.png"1445 o:title=""/> 1446 </v:shape><![endif]--><![if !vml]><img width=3 46 height=3771447 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 07.png"1448 v:shapes="Picture_x0020_3 0"><![endif]></span></p>1452 id="Picture_x0020_35" o:spid="_x0000_i1050" type="#_x0000_t75" style='width:280.5pt; 1453 height:350.25pt;visibility:visible;mso-wrap-style:square'> 1454 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image035.png" 1455 o:title=""/> 1456 </v:shape><![endif]--><![if !vml]><img width=374 height=467 1457 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image035.png" 1458 v:shapes="Picture_x0020_35"><![endif]></span></p> 1449 1459 1450 1460 <p class=MsoNormal><o:p> </o:p></p> … … 1458 1468 1459 1469 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1460 id=" Picture_x0020_8" o:spid="_x0000_i1049" type="#_x0000_t75" style='width:259.5pt;1461 height:282.75pt;visibility:visible;mso-wrap-style:square'>1462 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 08.png"1463 o:title=""/> 1464 </v:shape><![endif]--><![if !vml]><img width=3 46 height=3771465 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 08.png"1466 v:shapes=" Picture_x0020_8"><![endif]></span><span1470 id="_x0000_i1049" type="#_x0000_t75" style='width:280.5pt;height:350.25pt; 1471 visibility:visible;mso-wrap-style:square'> 1472 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image036.png" 1473 o:title=""/> 1474 </v:shape><![endif]--><![if !vml]><img width=374 height=467 1475 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image036.png" 1476 v:shapes="_x0000_i1049"><![endif]></span><span 1467 1477 style='mso-spacerun:yes'> </span></p> 1468 1478 … … 1472 1482 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1473 1483 mso-hansi-theme-font:minor-latin'>Instrument Parameters</span></b> GSAS-II tree 1474 item if needed). The resonant scattering value is used for contrast 1475 calculations.</p> 1484 item if needed). The real density value is used for contrast calculations.</p> 1476 1485 1477 1486 <p class=MsoNormal>Just as for Limits, this information needs to be copied to 1478 1487 the other SASD entries in the GSAS-II tree. Do <b style='mso-bidi-font-weight: 1479 1488 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1480 minor-latin;mso-hansi-theme-font:minor-latin'>Edit /Copy substances</span></b>1489 minor-latin;mso-hansi-theme-font:minor-latin'>Edit substance/Copy substances</span></b> 1481 1490 from the data window menu and follow the same selection procedure as you used 1482 1491 for limits above.</p> … … 1710 1719 1711 1720 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1712 id=" Picture_x0020_37" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:525pt;1713 height:450pt;visibility:visible;mso-wrap-style:square'>1721 id="_x0000_i1040" type="#_x0000_t75" style='width:525pt;height:450pt; 1722 visibility:visible;mso-wrap-style:square'> 1714 1723 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png" 1715 1724 o:title=""/> 1716 1725 </v:shape><![endif]--><![if !vml]><img width=700 height=600 1717 1726 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image017.png" 1718 v:shapes=" Picture_x0020_37"><![endif]></span></p>1727 v:shapes="_x0000_i1040"><![endif]></span></p> 1719 1728 1720 1729 <h2>Step 6: Initial refinement</h2> … … 1731 1740 1732 1741 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1733 id=" Picture_x0020_38" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:384.75pt;1734 height:358.5pt;visibility:visible;mso-wrap-style:square'>1742 id="_x0000_i1039" type="#_x0000_t75" style='width:384.75pt;height:358.5pt; 1743 visibility:visible;mso-wrap-style:square'> 1735 1744 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png" 1736 1745 o:title=""/> 1737 1746 </v:shape><![endif]--><![if !vml]><img width=513 height=478 1738 1747 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image018.png" 1739 v:shapes=" Picture_x0020_38"><![endif]></span></p>1748 v:shapes="_x0000_i1039"><![endif]></span></p> 1740 1749 1741 1750 <p class=MsoNormal><o:p> </o:p></p> … … 1843 1852 1844 1853 <p class=MsoNormal>Note the comment in the plot status bar: double click on the 1845 <span class=GramE><b style='mso-bidi-font-weight:normal'><span 1846 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1847 mso-hansi-theme-font:minor-latin'>0;Volume</span></b></span> and a new plot 1848 will appear.</p> 1854 <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1855 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span 1856 class=GramE>;Volume</span></span></b> and a new plot will appear.</p> 1849 1857 1850 1858 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape … … 1872 1880 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>fraction</span></b> 1873 1881 and the plot will be redrawn (it may require selection of another column & 1874 then <span class=GramE><b style='mso-bidi-font-weight:normal'><span 1875 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1876 mso-hansi-theme-font:minor-latin'>0;Volume</span></b></span> to make it 1877 appear).</p> 1882 then <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1883 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span 1884 class=GramE>;Volume</span></span></b> to make it appear).</p> 1878 1885 1879 1886 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape … … 1889 1896 1890 1897 <p class=MsoNormal>It is gratifying how this relation between Volume and the 1891 composition is linear. You can now determine the slope & intercept (or fit to1892 some other function!) directly with GSAS-II; do <b style='mso-bidi-font-weight:1893 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1894 minor-latin;mso-hansi-theme-font:minor-latin'>Parametric Fit/Add function</span></b>1898 composition is linear. You can now determine the slope & intercept (or fit 1899 to some other function!) directly with GSAS-II; do <b style='mso-bidi-font-weight: 1900 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1901 minor-latin;mso-hansi-theme-font:minor-latin'>Parametric Fit/Add equation</span></b> 1895 1902 and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1896 1903 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression … … 1914 1921 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1915 1922 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sequential 1916 results</span></b> table. Select < span class=GramE><b style='mso-bidi-font-weight:1917 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1918 m inor-latin;mso-hansi-theme-font:minor-latin'>0;Volume</span></b></span> and1919 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;1923 results</span></b> table. Select <b style='mso-bidi-font-weight:normal'><span 1924 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1925 mso-hansi-theme-font:minor-latin'>0<span class=GramE>;Volume</span></span></b> 1926 and the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1920 1927 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression 1921 1928 Editor</span></b> will reappear.</p> … … 1932 1939 <p class=MsoNormal><o:p> </o:p></p> 1933 1940 1934 <p class=MsoNormal>Next enter the function you wish to use in fitting < span1935 class=GramE><b style='mso-bidi-font-weight:normal'><span style='font-family: 1936 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 1937 minor-latin'>0:Volume</span></b></span>; enter <b style='mso-bidi-font-weight:1941 <p class=MsoNormal>Next enter the function you wish to use in fitting <b 1942 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1943 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span 1944 class=GramE>:Volume</span></span></b>; enter <b style='mso-bidi-font-weight: 1938 1945 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1939 1946 minor-latin;mso-hansi-theme-font:minor-latin'>m*<span class=SpellE>x+b</span></span></b> … … 1972 1979 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1973 1980 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Global</span></b>; 1974 a new dialog box will appear giving you twochoices.</p>1975 1976 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1977 id="Picture_x0020_ 29" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:468.75pt;1981 a new dialog box will appear giving you several choices.</p> 1982 1983 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1984 id="Picture_x0020_37" o:spid="_x0000_i1028" type="#_x0000_t75" style='width:468pt; 1978 1985 height:187.5pt;visibility:visible;mso-wrap-style:square'> 1979 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 29.png"1980 o:title=""/> 1981 </v:shape><![endif]--><![if !vml]><img width=62 5height=2501982 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 29.png"1983 v:shapes="Picture_x0020_ 29"><![endif]></span></p>1984 1985 <p class=MsoNormal><o:p> </o:p></p> 1986 1987 <p class=MsoNormal>Select the 2<sup>nd</sup> line (<b style='mso-bidi-font-weight:1988 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1989 m inor-latin;mso-hansi-theme-font:minor-latin'>fraction1990 </span></b>); it will 1991 appear in blue. Then press <b style='mso-bidi-font-weight:normal'><span 1992 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1993 m so-hansi-theme-font:minor-latin'>OK</span></b>; the <b style='mso-bidi-font-weight:1994 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1995 m inor-latin;mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will1996 reappearwith more information.</p>1986 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image037.png" 1987 o:title=""/> 1988 </v:shape><![endif]--><![if !vml]><img width=624 height=250 1989 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image037.png" 1990 v:shapes="Picture_x0020_37"><![endif]></span></p> 1991 1992 <p class=MsoNormal><o:p> </o:p></p> 1993 1994 <p class=MsoNormal>Select the last line (<b style='mso-bidi-font-weight:normal'><span 1995 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1996 mso-hansi-theme-font:minor-latin'>fraction 1997 </span></b>); it will appear in 1998 blue. Then press <b style='mso-bidi-font-weight:normal'><span style='font-family: 1999 "Calibri",sans-serif;mso-ascii-theme-font:minor-latin;mso-hansi-theme-font: 2000 minor-latin'>OK</span></b>; the <b style='mso-bidi-font-weight:normal'><span 2001 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 2002 mso-hansi-theme-font:minor-latin'>Expression Editor</span></b> will reappear 2003 with more information.</p> 1997 2004 1998 2005 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape … … 2023 2030 <p class=MsoNormal><o:p> </o:p></p> 2024 2031 2025 <p class=MsoNormal>And the plot shows the curve (in green) calculated from the2032 <p class=MsoNormal>And the plot shows the curve (in blue) calculated from the 2026 2033 best fit, weighted by the <span class=SpellE>esds</span> on the data points, to 2027 2034 the model equation for a straight line.</p> 2028 2035 2029 2036 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 2030 id="Picture_x0020_ 50" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:525pt;2031 height:4 50pt;visibility:visible;mso-wrap-style:square'>2032 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image03 2.png"2033 o:title=""/> 2034 </v:shape><![endif]--><![if !vml]><img width= 700 height=6002035 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image03 2.png"2036 v:shapes="Picture_x0020_ 50"><![endif]></span></p>2037 id="Picture_x0020_38" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:468pt; 2038 height:401.25pt;visibility:visible;mso-wrap-style:square'> 2039 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image038.png" 2040 o:title=""/> 2041 </v:shape><![endif]--><![if !vml]><img width=624 height=535 2042 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image039.png" 2043 v:shapes="Picture_x0020_38"><![endif]></span></p> 2037 2044 2038 2045 <p class=MsoNormal><o:p> </o:p></p> -
Tutorials/SAseqref/Sequential Refinement of Small Angle Scattering Data_files/filelist.xml
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