Changeset 3036 for Tutorials/SAseqref
- Timestamp:
- Aug 31, 2017 3:27:41 PM (6 years ago)
- Location:
- Tutorials/SAseqref
- Files:
-
- 43 added
- 29 deleted
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
Tutorials/SAseqref/Sequential Refinement of Small Angle Scattering Data.htm
r2794 r3036 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>vondreele</o:LastAuthor> 27 <o:Revision>2 0</o:Revision>28 <o:TotalTime>26 26</o:TotalTime>27 <o:Revision>21</o:Revision> 28 <o:TotalTime>2677</o:TotalTime> 29 29 <o:Created>2014-05-03T14:24:00Z</o:Created> 30 <o:LastSaved>2017-0 4-19T17:19:00Z</o:LastSaved>30 <o:LastSaved>2017-08-31T20:26:00Z</o:LastSaved> 31 31 <o:Pages>26</o:Pages> 32 <o:Words>15 38</o:Words>33 <o:Characters>8 773</o:Characters>32 <o:Words>1554</o:Words> 33 <o:Characters>8859</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 35 <o:Lines>73</o:Lines> 36 36 <o:Paragraphs>20</o:Paragraphs> 37 <o:CharactersWithSpaces>10 291</o:CharactersWithSpaces>37 <o:CharactersWithSpaces>10393</o:CharactersWithSpaces> 38 38 <o:Version>16.00</o:Version> 39 39 </o:DocumentProperties> … … 1304 1304 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> 1305 1305 <o:lock v:ext="edit" aspectratio="t"/> 1306 </v:shapetype><v:shape id="Picture_x0020_ 1" o:spid="_x0000_i1056" type="#_x0000_t75"1307 style='width: 525pt;height:450pt;visibility:visible;mso-wrap-style:square'>1308 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image00 1.png"1309 o:title=""/> 1310 </v:shape><![endif]--><![if !vml]><img width= 700 height=6001311 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image00 1.png"1312 v:shapes="Picture_x0020_ 1"><![endif]></span></p>1306 </v:shapetype><v:shape id="Picture_x0020_33" o:spid="_x0000_i1055" type="#_x0000_t75" 1307 style='width:468pt;height:401.25pt;visibility:visible;mso-wrap-style:square'> 1308 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image002.png" 1309 o:title=""/> 1310 </v:shape><![endif]--><![if !vml]><img width=624 height=535 1311 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image005.png" 1312 v:shapes="Picture_x0020_33"><![endif]></span></p> 1313 1313 1314 1314 <h2><a name="_Ref386704789">Step 2: Set Limits</a></h2> … … 1327 1327 1328 1328 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1329 id="_x0000_i1055" type="#_x0000_t75" style='width:225pt;height:96.75pt; 1329 id="Picture_x0020_34" o:spid="_x0000_i1054" type="#_x0000_t75" style='width:408pt; 1330 height:306.75pt;visibility:visible;mso-wrap-style:square'> 1331 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png" 1332 o:title=""/> 1333 </v:shape><![endif]--><![if !vml]><img width=544 height=409 1334 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image007.png" 1335 v:shapes="Picture_x0020_34"><![endif]></span><span 1336 style='mso-spacerun:yes'> </span></p> 1337 1338 <p class=MsoNormal><o:p> </o:p></p> 1339 1340 <p class=MsoNormal>To copy these limits to the other data sets use the <b 1341 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1342 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit 1343 Limits/Copy</span></b> command from the data window menu; a popup window will 1344 give the selection of targets.<br> 1345 <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_35" 1346 o:spid="_x0000_i1053" type="#_x0000_t75" style='width:216.75pt;height:254.25pt; 1330 1347 visibility:visible;mso-wrap-style:square'> 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" 1335 v:shapes="_x0000_i1055"><![endif]></span><span 1336 style='mso-spacerun:yes'> </span></p> 1337 1338 <p class=MsoNormal><o:p> </o:p></p> 1339 1340 <p class=MsoNormal>To copy these limits to the other data sets use the <b 1341 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1342 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Edit Limits/Copy</span></b> 1343 command from the data window menu; a popup window will give the selection of 1344 targets.<br> 1345 <span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape id="Picture_x0020_27" 1346 o:spid="_x0000_i1054" type="#_x0000_t75" style='width:240pt;height:232.5pt; 1347 visibility:visible;mso-wrap-style:square'> 1348 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png" 1349 o:title=""/> 1350 </v:shape><![endif]--><![if !vml]><img width=320 height=310 1351 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image003.png" 1352 v:shapes="Picture_x0020_27"><![endif]></span></p> 1348 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png" 1349 o:title=""/> 1350 </v:shape><![endif]--><![if !vml]><img width=289 height=339 1351 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image008.png" 1352 v:shapes="Picture_x0020_35"><![endif]></span></p> 1353 1353 1354 1354 <p class=MsoNormal><o:p> </o:p></p> … … 1359 1359 checked) and then press <b style='mso-bidi-font-weight:normal'><span 1360 1360 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1361 mso-hansi-theme-font:minor-latin'> Enter</span></b> to do the copy.</p>1361 mso-hansi-theme-font:minor-latin'>OK</span></b> to do the copy.</p> 1362 1362 1363 1363 <h2>Step 3 Select the scattering substances for your sample</h2> … … 1373 1373 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1374 1374 mso-hansi-theme-font:minor-latin;mso-no-proof:yes'>UserSubstances.py</span></b><span 1375 style='mso-no-proof:yes'>; this is read after Substances.py when you load substances1376 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 m so-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'><span1375 style='mso-no-proof:yes'>; this is read after Substances.py when you load 1376 substances for your selection. </span>Select <b style='mso-bidi-font-weight: 1377 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1378 minor-latin;mso-hansi-theme-font:minor-latin'>Substances</span></b> from the 1379 GSAS-II tree. Then do <span class=GramE><b style='mso-bidi-font-weight:normal'><span 1380 1380 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1381 1381 mso-hansi-theme-font:minor-latin'>Edit</span></b></span><b style='mso-bidi-font-weight: … … 1385 1385 1386 1386 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1387 id="Picture_x0020_3" o:spid="_x0000_i105 3" type="#_x0000_t75" style='width:259.5pt;1387 id="Picture_x0020_3" o:spid="_x0000_i1052" type="#_x0000_t75" style='width:259.5pt; 1388 1388 height:252pt;visibility:visible;mso-wrap-style:square'> 1389 1389 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image004.png" … … 1396 1396 1397 1397 <p class=MsoNormal>Notice that silica is not one of the choices; we will add it 1398 in a moment . Select <b style='mso-bidi-font-weight:normal'><span1399 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1400 m so-hansi-theme-font:minor-latin'>Water</span></b> and press <b1398 in a moment (a-Quartz is but lets ignore that). Select <b style='mso-bidi-font-weight: 1399 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1400 minor-latin;mso-hansi-theme-font:minor-latin'>Water</span></b> and press <b 1401 1401 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1402 1402 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; … … 1404 1404 1405 1405 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1406 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/image0 34.png"1409 o:title=""/> 1410 </v:shape><![endif]--><![if !vml]><img width= 374 height=3281411 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 34.png"1412 v:shapes=" _x0000_i1052"><![endif]></span><span1406 id="Picture_x0020_36" o:spid="_x0000_i1051" type="#_x0000_t75" style='width:408pt; 1407 height:306.75pt;visibility:visible;mso-wrap-style:square'> 1408 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png" 1409 o:title=""/> 1410 </v:shape><![endif]--><![if !vml]><img width=544 height=409 1411 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image029.png" 1412 v:shapes="Picture_x0020_36"><![endif]></span><span 1413 1413 style='mso-spacerun:yes'> </span></p> 1414 1414 … … 1419 1419 The composition, volume occupied by the atoms in the composition and the 1420 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 known1422 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 m inor-latin'>Edit substance/Add substance</span></b> to create it; you will be1425 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 m so-hansi-theme-font:minor-latin'>silica</span></b> and then a periodic table1428 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 m so-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 m inor-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_i105 1" type="#_x0000_t75" style='width:435pt;1421 values will change accordingly. Since we are going to say that silica wasnt in 1422 the list of known substances, do <b style='mso-bidi-font-weight:normal'><span 1423 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1424 mso-hansi-theme-font:minor-latin'>Edit substance/Add substance</span></b> to 1425 create it; you will be asked for a name enter <b style='mso-bidi-font-weight: 1426 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1427 minor-latin;mso-hansi-theme-font:minor-latin'>silica</span></b> and then a 1428 periodic table of the elements will be shown. Select <b style='mso-bidi-font-weight: 1429 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1430 minor-latin;mso-hansi-theme-font:minor-latin'>Si</span></b> and <b 1431 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1432 mso-ascii-theme-font: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_i1050" type="#_x0000_t75" style='width:435pt; 1436 1436 height:270pt;visibility:visible;mso-wrap-style:square'> 1437 1437 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image006.png" … … 1450 1450 1451 1451 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 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/image03 5.png"1455 o:title=""/> 1456 </v:shape><![endif]--><![if !vml]><img width= 374 height=4671457 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image03 5.png"1458 v:shapes=" Picture_x0020_35"><![endif]></span></p>1452 id="_x0000_i1049" type="#_x0000_t75" style='width:408pt;height:306.75pt; 1453 visibility:visible;mso-wrap-style:square'> 1454 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image032.png" 1455 o:title=""/> 1456 </v:shape><![endif]--><![if !vml]><img width=544 height=409 1457 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image032.png" 1458 v:shapes="_x0000_i1049"><![endif]></span></p> 1459 1459 1460 1460 <p class=MsoNormal><o:p> </o:p></p> … … 1468 1468 1469 1469 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1470 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/image0 36.png"1473 o:title=""/> 1474 </v:shape><![endif]--><![if !vml]><img width= 374 height=4671475 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 36.png"1476 v:shapes=" _x0000_i1049"><![endif]></span><span1470 id="Picture_x0020_38" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:408pt; 1471 height:306.75pt;visibility:visible;mso-wrap-style:square'> 1472 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image040.png" 1473 o:title=""/> 1474 </v:shape><![endif]--><![if !vml]><img width=544 height=409 1475 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image040.png" 1476 v:shapes="Picture_x0020_38"><![endif]></span><span 1477 1477 style='mso-spacerun:yes'> </span></p> 1478 1478 … … 1502 1502 1503 1503 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1504 id="Picture_x0020_ 9" o:spid="_x0000_i1048" type="#_x0000_t75" style='width:291.75pt;1505 height: 388.5pt;visibility:visible;mso-wrap-style:square'>1506 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 09.png"1507 o:title=""/> 1508 </v:shape><![endif]--><![if !vml]><img width= 389 height=5181509 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 09.png"1510 v:shapes="Picture_x0020_ 9"><![endif]><o:p></o:p></span></p>1504 id="Picture_x0020_39" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:438pt; 1505 height:435.75pt;visibility:visible;mso-wrap-style:square'> 1506 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image041.png" 1507 o:title=""/> 1508 </v:shape><![endif]--><![if !vml]><img width=584 height=581 1509 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image042.png" 1510 v:shapes="Picture_x0020_39"><![endif]><o:p></o:p></span></p> 1511 1511 1512 1512 <p class=MsoNormal><span style='mso-no-proof:yes'><o:p> </o:p></span></p> … … 1533 1533 1534 1534 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1535 id="Picture_x0020_ 10" o:spid="_x0000_i1047" type="#_x0000_t75" style='width:291.75pt;1536 height: 388.5pt;visibility:visible;mso-wrap-style:square'>1537 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 10.png"1538 o:title=""/> 1539 </v:shape><![endif]--><![if !vml]><img width= 389 height=5181540 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 10.png"1541 v:shapes="Picture_x0020_ 10"><![endif]><o:p></o:p></span></p>1535 id="Picture_x0020_40" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:447.75pt; 1536 height:445.5pt;visibility:visible;mso-wrap-style:square'> 1537 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image043.png" 1538 o:title=""/> 1539 </v:shape><![endif]--><![if !vml]><img width=597 height=594 1540 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image043.png" 1541 v:shapes="Picture_x0020_40"><![endif]><o:p></o:p></span></p> 1542 1542 1543 1543 <p class=MsoNormal><span style='mso-no-proof:yes'><o:p> </o:p></span></p> … … 1561 1561 1562 1562 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1563 id="Picture_x0020_ 11" o:spid="_x0000_i1046" type="#_x0000_t75" style='width:291.75pt;1564 height: 388.5pt;visibility:visible;mso-wrap-style:square'>1565 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 11.png"1566 o:title=""/> 1567 </v:shape><![endif]--><![if !vml]><img width= 389 height=5181568 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 11.png"1569 v:shapes="Picture_x0020_ 11"><![endif]></span><span1563 id="Picture_x0020_41" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:444pt; 1564 height:441.75pt;visibility:visible;mso-wrap-style:square'> 1565 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image044.png" 1566 o:title=""/> 1567 </v:shape><![endif]--><![if !vml]><img width=592 height=589 1568 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image044.png" 1569 v:shapes="Picture_x0020_41"><![endif]></span><span 1570 1570 style='mso-spacerun:yes'> </span><span style='mso-no-proof:yes'><o:p></o:p></span></p> 1571 1571 … … 1582 1582 1583 1583 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1584 id="Picture_x0020_ 12" o:spid="_x0000_i1045" type="#_x0000_t75" style='width:525pt;1585 height: 450pt;visibility:visible;mso-wrap-style:square'>1586 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 12.png"1587 o:title=""/> 1588 </v:shape><![endif]--><![if !vml]><img width= 700 height=6001589 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 12.png"1590 v:shapes="Picture_x0020_ 12"><![endif]></span></p>1584 id="Picture_x0020_42" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:453pt; 1585 height:388.5pt;visibility:visible;mso-wrap-style:square'> 1586 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image045.png" 1587 o:title=""/> 1588 </v:shape><![endif]--><![if !vml]><img width=604 height=518 1589 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image046.png" 1590 v:shapes="Picture_x0020_42"><![endif]></span></p> 1591 1591 1592 1592 <p class=MsoNormal><o:p> </o:p></p> … … 1623 1623 1624 1624 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1625 id="Picture_x0020_ 13" o:spid="_x0000_i1044" type="#_x0000_t75" style='width:525pt;1626 height: 450pt;visibility:visible;mso-wrap-style:square'>1627 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 13.png"1628 o:title=""/> 1629 </v:shape><![endif]--><![if !vml]><img width= 700 height=6001630 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 13.png"1631 v:shapes="Picture_x0020_ 13"><![endif]></span></p>1625 id="Picture_x0020_43" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:450.75pt; 1626 height:386.25pt;visibility:visible;mso-wrap-style:square'> 1627 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image047.png" 1628 o:title=""/> 1629 </v:shape><![endif]--><![if !vml]><img width=601 height=515 1630 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image048.png" 1631 v:shapes="Picture_x0020_43"><![endif]></span></p> 1632 1632 1633 1633 <p class=MsoNormal><span style='mso-no-proof:yes'><o:p> </o:p></span></p> … … 1659 1659 1660 1660 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1661 id="Picture_x0020_ 14" o:spid="_x0000_i1043" type="#_x0000_t75" style='width:384.75pt;1662 height: 358.5pt;visibility:visible;mso-wrap-style:square'>1663 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 14.png"1664 o:title=""/> 1665 </v:shape><![endif]--><![if !vml]><img width= 513 height=4781666 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 14.png"1667 v:shapes="Picture_x0020_ 14"><![endif]></span></p>1661 id="Picture_x0020_44" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:468pt; 1662 height:276pt;visibility:visible;mso-wrap-style:square'> 1663 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image049.png" 1664 o:title=""/> 1665 </v:shape><![endif]--><![if !vml]><img width=624 height=368 1666 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image050.png" 1667 v:shapes="Picture_x0020_44"><![endif]></span></p> 1668 1668 1669 1669 <p class=MsoNormal><o:p> </o:p></p> … … 1672 1672 1673 1673 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1674 id="Picture_x0020_ 34" o:spid="_x0000_i1042" type="#_x0000_t75" style='width:525pt;1675 height: 450pt;visibility:visible;mso-wrap-style:square'>1676 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 15.png"1677 o:title=""/> 1678 </v:shape><![endif]--><![if !vml]><img width= 700 height=6001679 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 15.png"1680 v:shapes="Picture_x0020_ 34"><![endif]></span><br clear=all style='mso-special-character:1674 id="Picture_x0020_45" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:438.75pt; 1675 height:376.5pt;visibility:visible;mso-wrap-style:square'> 1676 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image051.png" 1677 o:title=""/> 1678 </v:shape><![endif]--><![if !vml]><img width=585 height=502 1679 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image052.png" 1680 v:shapes="Picture_x0020_45"><![endif]></span><br clear=all style='mso-special-character: 1681 1681 line-break'> 1682 1682 </p> … … 1706 1706 1707 1707 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1708 id="Picture_x0020_ 36" o:spid="_x0000_i1041" type="#_x0000_t75" style='width:384.75pt;1709 height: 358.5pt;visibility:visible;mso-wrap-style:square'>1710 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 16.png"1711 o:title=""/> 1712 </v:shape><![endif]--><![if !vml]><img width= 513 height=4781713 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 16.png"1714 v:shapes="Picture_x0020_ 36"><![endif]></span></p>1708 id="Picture_x0020_46" o:spid="_x0000_i1040" type="#_x0000_t75" style='width:468pt; 1709 height:276pt;visibility:visible;mso-wrap-style:square'> 1710 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image053.png" 1711 o:title=""/> 1712 </v:shape><![endif]--><![if !vml]><img width=624 height=368 1713 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image054.png" 1714 v:shapes="Picture_x0020_46"><![endif]></span></p> 1715 1715 1716 1716 <p class=MsoNormal><o:p> </o:p></p> … … 1719 1719 1720 1720 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1721 id=" _x0000_i1040" type="#_x0000_t75" style='width:525pt;height:450pt;1722 visibility:visible;mso-wrap-style:square'>1723 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 17.png"1724 o:title=""/> 1725 </v:shape><![endif]--><![if !vml]><img width= 700 height=6001726 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 17.png"1727 v:shapes=" _x0000_i1040"><![endif]></span></p>1721 id="Picture_x0020_47" o:spid="_x0000_i1039" type="#_x0000_t75" style='width:468pt; 1722 height:401.25pt;visibility:visible;mso-wrap-style:square'> 1723 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image055.png" 1724 o:title=""/> 1725 </v:shape><![endif]--><![if !vml]><img width=624 height=535 1726 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image056.png" 1727 v:shapes="Picture_x0020_47"><![endif]></span></p> 1728 1728 1729 1729 <h2>Step 6: Initial refinement</h2> … … 1740 1740 1741 1741 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1742 id=" _x0000_i1039" type="#_x0000_t75" style='width:384.75pt;height:358.5pt;1743 visibility:visible;mso-wrap-style:square'>1744 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 18.png"1745 o:title=""/> 1746 </v:shape><![endif]--><![if !vml]><img width= 513 height=4781747 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 18.png"1748 v:shapes=" _x0000_i1039"><![endif]></span></p>1742 id="Picture_x0020_48" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:468pt; 1743 height:276pt;visibility:visible;mso-wrap-style:square'> 1744 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image057.png" 1745 o:title=""/> 1746 </v:shape><![endif]--><![if !vml]><img width=624 height=368 1747 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image058.png" 1748 v:shapes="Picture_x0020_48"><![endif]></span></p> 1749 1749 1750 1750 <p class=MsoNormal><o:p> </o:p></p> … … 1753 1753 1754 1754 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1755 id="Picture_x0020_ 39" o:spid="_x0000_i1038" type="#_x0000_t75" style='width:609.75pt;1756 height:1 52.25pt;visibility:visible;mso-wrap-style:square'>1757 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 19.png"1758 o:title=""/> 1759 </v:shape><![endif]--><![if !vml]><img width= 813 height=2031760 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 19.png"1761 v:shapes="Picture_x0020_ 39"><![endif]></span></p>1755 id="Picture_x0020_49" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:468pt; 1756 height:149.25pt;visibility:visible;mso-wrap-style:square'> 1757 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image059.png" 1758 o:title=""/> 1759 </v:shape><![endif]--><![if !vml]><img width=624 height=199 1760 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image060.png" 1761 v:shapes="Picture_x0020_49"><![endif]></span></p> 1762 1762 1763 1763 <p class=MsoNormal><o:p> </o:p></p> … … 1766 1766 1767 1767 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1768 id="Picture_x0020_ 40" o:spid="_x0000_i1037" type="#_x0000_t75" style='width:525pt;1769 height:4 50pt;visibility:visible;mso-wrap-style:square'>1770 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 20.png"1771 o:title=""/> 1772 </v:shape><![endif]--><![if !vml]><img width= 700 height=6001773 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 20.png"1774 v:shapes="Picture_x0020_ 40"><![endif]></span></p>1768 id="Picture_x0020_50" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:468pt; 1769 height:401.25pt;visibility:visible;mso-wrap-style:square'> 1770 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image061.png" 1771 o:title=""/> 1772 </v:shape><![endif]--><![if !vml]><img width=624 height=535 1773 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image062.png" 1774 v:shapes="Picture_x0020_50"><![endif]></span></p> 1775 1775 1776 1776 <p class=MsoNormal><o:p> </o:p></p> … … 1789 1789 1790 1790 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1791 id="Picture_x0020_ 21" o:spid="_x0000_i1036" type="#_x0000_t75" style='width:240pt;1792 height:2 32.5pt;visibility:visible;mso-wrap-style:square'>1793 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 21.png"1794 o:title=""/> 1795 </v:shape><![endif]--><![if !vml]><img width= 320 height=3101796 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 21.png"1797 v:shapes="Picture_x0020_ 21"><![endif]></span></p>1791 id="Picture_x0020_51" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:223.5pt; 1792 height:289.5pt;visibility:visible;mso-wrap-style:square'> 1793 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image063.png" 1794 o:title=""/> 1795 </v:shape><![endif]--><![if !vml]><img width=298 height=386 1796 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image063.png" 1797 v:shapes="Picture_x0020_51"><![endif]></span></p> 1798 1798 1799 1799 <p class=MsoNormal><o:p> </o:p></p> … … 1801 1801 <p class=MsoNormal>Press <b style='mso-bidi-font-weight:normal'><span 1802 1802 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1803 mso-hansi-theme-font:minor-latin'>Set All</span></b>, all boxes will be checked 1804 showing selection of the data sets. Then press <b style='mso-bidi-font-weight: 1805 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1806 minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; a new dialog box 1807 will appear</p> 1808 1809 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1810 id="Picture_x0020_33" o:spid="_x0000_i1035" type="#_x0000_t75" style='width:259.5pt; 1811 height:252pt;visibility:visible;mso-wrap-style:square'> 1812 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png" 1813 o:title=""/> 1814 </v:shape><![endif]--><![if !vml]><img width=346 height=336 1815 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image022.png" 1816 v:shapes="Picture_x0020_33"><![endif]></span></p> 1817 1818 <p class=MsoNormal><o:p> </o:p></p> 1819 1820 <p class=MsoNormal>This allows you to instruct the sequential refinement to 1821 start at the last data set and proceed backwards through them (<b 1822 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1823 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Reverse 1824 sequence</span></b>). It also allows you to instruct the sequential refinement 1825 to use the current parameters as starting values for the next data set. This 1826 works in either direction and facilitates the initial sequential refinements. 1827 NB: some sequential refinements do not work well in both directions; in this 1828 particular case starting with a fitted 1% pattern and going in reverse through 1829 the data fails on the 5% data set. Apparently the change in parameters is too 1830 great for the least squares to handle; going in the forward direction works 1831 just fine (as you will see next). Select <b style='mso-bidi-font-weight:normal'><span 1832 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1833 mso-hansi-theme-font:minor-latin'>Copy from prev.</span></b> and press <b 1834 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1803 mso-hansi-theme-font:minor-latin'>Set <span class=GramE>All</span></span></b>, 1804 all boxes will be checked showing selection of the data sets. This also allows 1805 you to instruct the sequential refinement to start at the last data set and 1806 proceed backwards through them (<b style='mso-bidi-font-weight:normal'><span 1807 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1808 mso-hansi-theme-font:minor-latin'>Reverse order</span></b>). It also allows you 1809 to instruct the sequential refinement to use the current parameters as starting 1810 values for the next data set. This works in either direction and facilitates 1811 the initial sequential refinements. NB: some sequential refinements do not work 1812 well in both directions; in this particular case starting with a fitted 1% 1813 pattern and going in reverse through the data fails on the 5% data set. 1814 Apparently the change in parameters is too great for the least squares to 1815 handle; going in the forward direction works just fine (as you will see next). 1816 Select <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1817 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Copy to next</span></b> 1818 and press <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1835 1819 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>OK</span></b>; 1836 1820 the sequential refinement will proceed very rapidly displaying results for each 1837 1821 data set on the console and finally ending by displaying the <b 1838 1822 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1839 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sequential 1823 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Sequential refinement 1840 1824 results.<o:p></o:p></span></b></p> 1841 1825 1842 1826 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1843 id="Picture_x0020_ 42" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:564pt;1844 height:2 62.5pt;visibility:visible;mso-wrap-style:square'>1845 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 23.png"1846 o:title=""/> 1847 </v:shape><![endif]--><![if !vml]><img width= 752 height=3501848 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 23.png"1849 v:shapes="Picture_x0020_ 42"><![endif]></span></p>1827 id="Picture_x0020_53" o:spid="_x0000_i1034" type="#_x0000_t75" style='width:459pt; 1828 height:234pt;visibility:visible;mso-wrap-style:square'> 1829 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image064.png" 1830 o:title=""/> 1831 </v:shape><![endif]--><![if !vml]><img width=612 height=312 1832 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image065.png" 1833 v:shapes="Picture_x0020_53"><![endif]></span></p> 1850 1834 1851 1835 <p class=MsoNormal><o:p> </o:p></p> … … 1857 1841 1858 1842 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1859 id="Picture_x0020_ 43" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:525pt;1860 height:4 50pt;visibility:visible;mso-wrap-style:square'>1861 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 24.png"1862 o:title=""/> 1863 </v:shape><![endif]--><![if !vml]><img width= 700 height=6001864 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 24.png"1865 v:shapes="Picture_x0020_ 43"><![endif]></span></p>1843 id="Picture_x0020_54" o:spid="_x0000_i1033" type="#_x0000_t75" style='width:468pt; 1844 height:401.25pt;visibility:visible;mso-wrap-style:square'> 1845 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image066.png" 1846 o:title=""/> 1847 </v:shape><![endif]--><![if !vml]><img width=624 height=535 1848 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image067.png" 1849 v:shapes="Picture_x0020_54"><![endif]></span></p> 1866 1850 1867 1851 <p class=MsoNormal><o:p> </o:p></p> … … 1875 1859 minor-latin'>s</span></b> from the <b style='mso-bidi-font-weight:normal'><span 1876 1860 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1877 mso-hansi-theme-font:minor-latin'>K</span></b> box); a dialog box will appear 1878 with a selection of parameters to plot along the x-axis. Select <b 1879 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1880 m so-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>fraction</span></b>1881 and the plot will be redrawn (it may require selection of another column & 1882 then <bstyle='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;1861 mso-hansi-theme-font:minor-latin'>K</span></b> box); a dialog box will appear with 1862 a selection of parameters to plot along the x-axis. Select <b style='mso-bidi-font-weight: 1863 normal'><span style='font-family:"Calibri",sans-serif;mso-ascii-theme-font: 1864 minor-latin;mso-hansi-theme-font:minor-latin'>fraction</span></b> and the plot 1865 will be redrawn (it may require selection of another column & then <b 1866 style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1883 1867 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>0<span 1884 1868 class=GramE>;Volume</span></span></b> to make it appear).</p> 1885 1869 1886 1870 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1887 id="Picture_x0020_ 44" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:525pt;1888 height: 450pt;visibility:visible;mso-wrap-style:square'>1889 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 25.png"1890 o:title=""/> 1891 </v:shape><![endif]--><![if !vml]><img width= 700 height=6001892 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 25.png"1893 v:shapes="Picture_x0020_ 44"><![endif]></span></p>1894 1895 <p class=MsoNormal><o:p> </o:p></p> 1896 1897 <p class=MsoNormal>It is gratifying how this relation between Volume and the 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 m inor-latin;mso-hansi-theme-font:minor-latin'>Parametric Fit/Add equation</span></b>1902 andthe <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif;1871 id="Picture_x0020_55" o:spid="_x0000_i1032" type="#_x0000_t75" style='width:445.5pt; 1872 height:381.75pt;visibility:visible;mso-wrap-style:square'> 1873 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image068.png" 1874 o:title=""/> 1875 </v:shape><![endif]--><![if !vml]><img width=594 height=509 1876 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image069.png" 1877 v:shapes="Picture_x0020_55"><![endif]></span></p> 1878 1879 <p class=MsoNormal><o:p> </o:p></p> 1880 1881 <p class=MsoNormal>It is gratifying how this relation between Volume and the composition 1882 is linear. You can now determine the slope & intercept (or fit to some 1883 other function!) directly with GSAS-II; do <b style='mso-bidi-font-weight:normal'><span 1884 style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin; 1885 mso-hansi-theme-font:minor-latin'>Parametric Fit/Add equation</span></b> and 1886 the <b style='mso-bidi-font-weight:normal'><span style='font-family:"Calibri",sans-serif; 1903 1887 mso-ascii-theme-font:minor-latin;mso-hansi-theme-font:minor-latin'>Expression 1904 1888 Editor</span></b> dialog box will appear.</p> 1905 1889 1906 1890 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1907 id="Picture_x0020_ 26" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:465pt;1908 height:2 25pt;visibility:visible;mso-wrap-style:square'>1909 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 26.png"1910 o:title=""/> 1911 </v:shape><![endif]--><![if !vml]><img width=620 height=3 001912 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 26.png"1913 v:shapes="Picture_x0020_ 26"><![endif]></span></p>1891 id="Picture_x0020_56" o:spid="_x0000_i1031" type="#_x0000_t75" style='width:465pt; 1892 height:255pt;visibility:visible;mso-wrap-style:square'> 1893 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image070.png" 1894 o:title=""/> 1895 </v:shape><![endif]--><![if !vml]><img width=620 height=340 1896 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image070.png" 1897 v:shapes="Picture_x0020_56"><![endif]></span></p> 1914 1898 1915 1899 <p class=MsoNormal><o:p> </o:p></p> … … 1929 1913 1930 1914 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1931 id="Picture_x0020_ 45" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:465pt;1915 id="Picture_x0020_57" o:spid="_x0000_i1030" type="#_x0000_t75" style='width:465pt; 1932 1916 height:255pt;visibility:visible;mso-wrap-style:square'> 1933 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 27.png"1917 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image071.png" 1934 1918 o:title=""/> 1935 1919 </v:shape><![endif]--><![if !vml]><img width=620 height=340 1936 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 27.png"1937 v:shapes="Picture_x0020_ 45"><![endif]></span></p>1920 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image071.png" 1921 v:shapes="Picture_x0020_57"><![endif]></span></p> 1938 1922 1939 1923 <p class=MsoNormal><o:p> </o:p></p> … … 1957 1941 1958 1942 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 1959 id="Picture_x0020_ 46" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:465pt;1943 id="Picture_x0020_58" o:spid="_x0000_i1029" type="#_x0000_t75" style='width:465pt; 1960 1944 height:255pt;visibility:visible;mso-wrap-style:square'> 1961 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 28.png"1945 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image072.png" 1962 1946 o:title=""/> 1963 1947 </v:shape><![endif]--><![if !vml]><img width=620 height=340 1964 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 28.png"1965 v:shapes="Picture_x0020_ 46"><![endif]></span></p>1948 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image072.png" 1949 v:shapes="Picture_x0020_58"><![endif]></span></p> 1966 1950 1967 1951 <p class=MsoNormal><o:p> </o:p></p> … … 2004 1988 2005 1989 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 2006 id="Picture_x0020_ 47" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:465pt;1990 id="Picture_x0020_59" o:spid="_x0000_i1027" type="#_x0000_t75" style='width:465pt; 2007 1991 height:255pt;visibility:visible;mso-wrap-style:square'> 2008 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 30.png"1992 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image073.png" 2009 1993 o:title=""/> 2010 1994 </v:shape><![endif]--><![if !vml]><img width=620 height=340 2011 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 30.png"2012 v:shapes="Picture_x0020_ 47"><![endif]></span></p>1995 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image073.png" 1996 v:shapes="Picture_x0020_59"><![endif]></span></p> 2013 1997 2014 1998 <p class=MsoNormal><o:p> </o:p></p> … … 2020 2004 2021 2005 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 2022 id="Picture_x0020_ 49" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:303.75pt;2023 height: 98.25pt;visibility:visible;mso-wrap-style:square'>2024 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 31.png"2025 o:title=""/> 2026 </v:shape><![endif]--><![if !vml]><img width=4 05 height=1312027 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 31.png"2028 v:shapes="Picture_x0020_ 49"><![endif]></span></p>2029 2030 <p class=MsoNormal><o:p> </o:p></p> 2031 2032 <p class=MsoNormal>And the plot shows the curve (in blue) calculated from the2006 id="Picture_x0020_60" o:spid="_x0000_i1026" type="#_x0000_t75" style='width:354pt; 2007 height:116.25pt;visibility:visible;mso-wrap-style:square'> 2008 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image074.png" 2009 o:title=""/> 2010 </v:shape><![endif]--><![if !vml]><img width=472 height=155 2011 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image074.png" 2012 v:shapes="Picture_x0020_60"><![endif]></span></p> 2013 2014 <p class=MsoNormal><o:p> </o:p></p> 2015 2016 <p class=MsoNormal>And the plot shows the curve (in red) calculated from the 2033 2017 best fit, weighted by the <span class=SpellE>esds</span> on the data points, to 2034 2018 the model equation for a straight line.</p> 2035 2019 2036 2020 <p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape 2037 id="Picture_x0020_ 38" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:468pt;2021 id="Picture_x0020_61" o:spid="_x0000_i1025" type="#_x0000_t75" style='width:468pt; 2038 2022 height:401.25pt;visibility:visible;mso-wrap-style:square'> 2039 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 38.png"2023 <v:imagedata src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image075.png" 2040 2024 o:title=""/> 2041 2025 </v:shape><![endif]--><![if !vml]><img width=624 height=535 2042 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image0 39.png"2043 v:shapes="Picture_x0020_ 38"><![endif]></span></p>2026 src="Sequential%20Refinement%20of%20Small%20Angle%20Scattering%20Data_files/image076.png" 2027 v:shapes="Picture_x0020_61"><![endif]></span></p> 2044 2028 2045 2029 <p class=MsoNormal><o:p> </o:p></p> … … 2052 2036 explanation for the discrepancy is that the silica particles are partially 2053 2037 hydrated thus reducing the contrast from 175.6x10<sup>20</sup> cm<sup>-4</sup> 2054 to something like 98x10<sup>20</sup>cm<sup>-4</sup>.</p> 2038 to something like 98x10<sup>20</sup>cm<sup>-4</sup>. This concludes the small 2039 angle sequential fit tutorial; you may save the project.</p> 2055 2040 2056 2041 </div> -
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