Changeset 1183 for trunk/sphinxdocs/build/html/GSASIIobj.html
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- Jan 5, 2014 9:22:22 AM (8 years ago)
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trunk/sphinxdocs/build/html/GSASIIobj.html
r1168 r1183 871 871 <table border="1" class="docutils"> 872 872 <colgroup> 873 <col width="2 5%" />873 <col width="24%" /> 874 874 <col width="17%" /> 875 <col width="5 8%" />875 <col width="59%" /> 876 876 </colgroup> 877 877 <thead valign="bottom"> … … 882 882 </thead> 883 883 <tbody valign="top"> 884 <tr class="row-even"><td>Limits</td> 884 <tr class="row-even"><td>Comments</td> 885 <td></td> 886 <td>Text strings extracted from the original powder 887 data header. These cannot be changed by the user; 888 it may be empty.</td> 889 </tr> 890 <tr class="row-odd"><td>Limits</td> 885 891 <td></td> 886 892 <td>A list of two two element lists, as [[Ld,Hd],[L,H]] … … 890 896 two-theta value to be used.</td> 891 897 </tr> 892 <tr class="row- odd"><td>Reflection Lists</td>898 <tr class="row-even"><td>Reflection Lists</td> 893 899 <td></td> 894 900 <td>A dict with an entry for each phase in the … … 898 904 description.</td> 899 905 </tr> 900 <tr class="row- even"><td>Instrument Parameters</td>906 <tr class="row-odd"><td>Instrument Parameters</td> 901 907 <td></td> 902 908 <td>A list containing two dicts where the possible … … 910 916 Items in the first dict are noted as [1]</td> 911 917 </tr> 912 <tr class="row- odd"><td></td>918 <tr class="row-even"><td></td> 913 919 <td>Lam</td> 914 920 <td>Specifies a wavelength in Angstroms [1]</td> 915 921 </tr> 916 <tr class="row- even"><td></td>922 <tr class="row-odd"><td></td> 917 923 <td>Lam1</td> 918 924 <td>Specifies the primary wavelength in … … 920 926 source is used [1]</td> 921 927 </tr> 922 <tr class="row- odd"><td></td>928 <tr class="row-even"><td></td> 923 929 <td><p class="first">Lam2</p> 924 930 <p class="last">I(L2)/I(L1)</p> … … 929 935 Ratio of Lam2 to Lam1 [1]</td> 930 936 </tr> 931 <tr class="row- even"><td></td>937 <tr class="row-odd"><td></td> 932 938 <td>Type</td> 933 939 <td><dl class="first last docutils"> … … 942 948 </td> 943 949 </tr> 944 <tr class="row- odd"><td></td>950 <tr class="row-even"><td></td> 945 951 <td>Zero</td> 946 952 <td>Two-theta zero correction in <em>degrees</em> [1]</td> 947 953 </tr> 948 <tr class="row- even"><td></td>954 <tr class="row-odd"><td></td> 949 955 <td>Azimuth</td> 950 956 <td>Azimuthal setting angle for data recorded 951 957 with differing setting angles [1]</td> 952 958 </tr> 953 <tr class="row- odd"><td></td>959 <tr class="row-even"><td></td> 954 960 <td>U, V, W</td> 955 961 <td>Cagliotti profile coefficients … … 958 964 <span class="math">\(U \tan^2\theta + V \tan\theta + W\)</span> [1]</td> 959 965 </tr> 960 <tr class="row- even"><td></td>966 <tr class="row-odd"><td></td> 961 967 <td>X, Y</td> 962 968 <td>Cauchy (Lorentzian) instrumental broadening 963 969 coefficients [1]</td> 964 970 </tr> 965 <tr class="row- odd"><td></td>971 <tr class="row-even"><td></td> 966 972 <td>SH/L</td> 967 973 <td>Variant of the Finger-Cox-Jephcoat asymmetric … … 971 977 L is the goniometer diameter. [1]</td> 972 978 </tr> 973 <tr class="row- even"><td></td>979 <tr class="row-odd"><td></td> 974 980 <td>Polariz.</td> 975 981 <td>Polarization coefficient. [1]</td> 976 982 </tr> 977 <tr class="row- odd"><td>wtFactor</td>983 <tr class="row-even"><td>wtFactor</td> 978 984 <td></td> 979 985 <td>A weighting factor to increase or decrease … … 984 990 to decreasing the uncertainties).</td> 985 991 </tr> 986 <tr class="row- even"><td>Sample Parameters</td>992 <tr class="row-odd"><td>Sample Parameters</td> 987 993 <td></td> 988 994 <td>Specifies a dict with parameters that describe how … … 993 999 the value is a float unless otherwise noted.</td> 994 1000 </tr> 995 <tr class="row- odd"><td></td>1001 <tr class="row-even"><td></td> 996 1002 <td>Scale</td> 997 1003 <td>The histogram scale factor (refinable)</td> 998 1004 </tr> 999 <tr class="row- even"><td></td>1005 <tr class="row-odd"><td></td> 1000 1006 <td>Absorption</td> 1001 1007 <td>The sample absorption coefficient as 1002 1008 <span class="math">\(\mu r\)</span> where r is the radius 1003 (refinable).</td> 1004 </tr> 1005 <tr class="row-odd"><td></td> 1009 (refinable). Only valid for Debye-Scherrer geometry.</td> 1010 </tr> 1011 <tr class="row-even"><td></td> 1012 <td>SurfaceRoughA</td> 1013 <td>Surface roughness parameter A as defined by 1014 Surotti,J. Appl. Cryst, 5,325-331, 1972.(refinable - 1015 only valid for Bragg-Brentano geometry)</td> 1016 </tr> 1017 <tr class="row-odd"><td></td> 1018 <td>SurfaceRoughB</td> 1019 <td>Surface roughness parameter B (refinable - 1020 only valid for Bragg-Brentano geometry)</td> 1021 </tr> 1022 <tr class="row-even"><td></td> 1006 1023 <td>DisplaceX, 1007 1024 DisplaceY</td> … … 1011 1028 (refinable).</td> 1012 1029 </tr> 1013 <tr class="row- even"><td></td>1030 <tr class="row-odd"><td></td> 1014 1031 <td>Phi, Chi, 1015 1032 Omega</td> 1016 1033 <td>Goniometer sample setting angles, in degrees.</td> 1017 1034 </tr> 1018 <tr class="row- odd"><td></td>1035 <tr class="row-even"><td></td> 1019 1036 <td>Gonio. radius</td> 1020 1037 <td>Radius of the diffractometer in mm</td> 1021 1038 </tr> 1022 <tr class="row- even"><td></td>1039 <tr class="row-odd"><td></td> 1023 1040 <td>InstrName</td> 1024 1041 <td>A name for the instrument, used in preparing 1025 1042 a CIF (str).</td> 1026 1043 </tr> 1027 <tr class="row- odd"><td></td>1044 <tr class="row-even"><td></td> 1028 1045 <td>Force, 1029 1046 Temperature, … … 1035 1052 any computations.</td> 1036 1053 </tr> 1037 <tr class="row- even"><td></td>1054 <tr class="row-odd"><td></td> 1038 1055 <td>ranId</td> 1039 1056 <td>The random-number Id for the histogram 1040 1057 (same value as where top-level key is ranId)</td> 1041 1058 </tr> 1042 <tr class="row- odd"><td></td>1059 <tr class="row-even"><td></td> 1043 1060 <td>Type</td> 1044 1061 <td>Type of diffraction data, may be ‘Debye-Scherrer’ 1045 1062 or ‘Bragg-Brentano’ (str).</td> 1046 1063 </tr> 1047 <tr class="row- even"><td></td>1064 <tr class="row-odd"><td></td> 1048 1065 <td>Diffuse</td> 1049 1066 <td>not in use?</td> 1050 1067 </tr> 1051 <tr class="row- odd"><td>hId</td>1068 <tr class="row-even"><td>hId</td> 1052 1069 <td></td> 1053 1070 <td>The number assigned to the histogram when 1054 1071 the project is loaded or edited (can change)</td> 1055 1072 </tr> 1056 <tr class="row- even"><td>ranId</td>1073 <tr class="row-odd"><td>ranId</td> 1057 1074 <td></td> 1058 1075 <td>A random number id for the histogram 1059 1076 that does not change</td> 1060 1077 </tr> 1061 <tr class="row- odd"><td>Background</td>1078 <tr class="row-even"><td>Background</td> 1062 1079 <td></td> 1063 1080 <td>The background is stored as a list with where … … 1068 1085 (TODO: this needs to be expanded.)</td> 1069 1086 </tr> 1070 <tr class="row- even"><td>Data</td>1087 <tr class="row-odd"><td>Data</td> 1071 1088 <td></td> 1072 1089 <td><p class="first">The data consist of a list of 6 np.arrays … … 1273 1290 </table> 1274 1291 </div> 1292 <div class="section" id="image-data-structure"> 1293 <h2>Image Data Structure<a class="headerlink" href="#image-data-structure" title="Permalink to this headline">¶</a></h2> 1294 <span class="target" id="image-table"></span><p id="index-12">Every 2-dimensional image is stored in the GSAS-II data tree 1295 with a top-level entry named beginning with the string “IMG ”. The 1296 image data are directly associated with that tree item and there 1297 are a series of children to that item. The routines <a class="reference internal" href="GSASII.html#GSASII.GSASII.GetUsedHistogramsAndPhasesfromTree" title="GSASII.GSASII.GetUsedHistogramsAndPhasesfromTree"><tt class="xref py py-func docutils literal"><span class="pre">GSASII.GSASII.GetUsedHistogramsAndPhasesfromTree()</span></tt></a> 1298 and <a class="reference internal" href="GSASIIstruc.html#GSASIIstrIO.GetUsedHistogramsAndPhases" title="GSASIIstrIO.GetUsedHistogramsAndPhases"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIstrIO.GetUsedHistogramsAndPhases()</span></tt></a> will 1299 load this information into a dictionary where the child tree name is 1300 used as a key, and the information in the main entry is assigned 1301 a key of <tt class="docutils literal"><span class="pre">Data</span></tt>, as outlined below.</p> 1302 <table border="1" class="docutils"> 1303 <colgroup> 1304 <col width="12%" /> 1305 <col width="12%" /> 1306 <col width="76%" /> 1307 </colgroup> 1308 <thead valign="bottom"> 1309 <tr class="row-odd"><th class="head">key</th> 1310 <th class="head">sub-key</th> 1311 <th class="head">explanation</th> 1312 </tr> 1313 </thead> 1314 <tbody valign="top"> 1315 <tr class="row-even"><td>Comments</td> 1316 <td></td> 1317 <td>Text strings extracted from the original image data 1318 header or a metafile. These cannot be changed by 1319 the user; it may be empty.</td> 1320 </tr> 1321 <tr class="row-odd"><td>Image Controls</td> 1322 <td>azmthOff</td> 1323 <td>(float) The offset to be applied to an azimuthal 1324 value. Accomodates 1325 detector orientations other than with the detector 1326 X-axis 1327 horizontal.</td> 1328 </tr> 1329 <tr class="row-even"><td></td> 1330 <td>background image</td> 1331 <td>(list:str,float) The name of a tree item (“IMG ...”) that is to be subtracted 1332 during image integration multiplied by value. It must have the same size/shape as 1333 the integrated image. NB: value < 0 for subtraction.</td> 1334 </tr> 1335 <tr class="row-odd"><td></td> 1336 <td>calibrant</td> 1337 <td>(str) The material used for determining the position/orientation 1338 of the image. The data is obtained from <a class="reference internal" href="GSASIIutil.html#module-ImageCalibrants" title="ImageCalibrants"><tt class="xref py py-func docutils literal"><span class="pre">ImageCalibrants()</span></tt></a> 1339 and UserCalibrants.py (supplied by user).</td> 1340 </tr> 1341 <tr class="row-even"><td></td> 1342 <td>calibdmin</td> 1343 <td>(float) The minimum d-spacing used during the last calibration run.</td> 1344 </tr> 1345 <tr class="row-odd"><td></td> 1346 <td>calibskip</td> 1347 <td>(int) The number of expected diffraction lines skipped during the last 1348 calibration run.</td> 1349 </tr> 1350 <tr class="row-even"><td></td> 1351 <td>center</td> 1352 <td>(list:floats) The [X,Y] point in detector coordinates (mm) where the direct beam 1353 strikes the detector plane as determined by calibration. This point 1354 does not have to be within the limits of the detector boundaries.</td> 1355 </tr> 1356 <tr class="row-odd"><td></td> 1357 <td>centerAzm</td> 1358 <td>(bool) If True then the azimuth reported for the integrated slice 1359 of the image is at the center line otherwise it is at the leading edge.</td> 1360 </tr> 1361 <tr class="row-even"><td></td> 1362 <td>color</td> 1363 <td>(str) The name of the colormap used to display the image. Default = ‘Paired’.</td> 1364 </tr> 1365 <tr class="row-odd"><td></td> 1366 <td>cutoff</td> 1367 <td>(float) The minimum value of I/Ib for a point selected in a diffraction ring for 1368 calibration calculations. See pixLimit for details as how point is found.</td> 1369 </tr> 1370 <tr class="row-even"><td></td> 1371 <td>DetDepth</td> 1372 <td>(float) Coefficient for penetration correction to distance; accounts for diffraction 1373 ring offset at higher angles. Optionally determined by calibration.</td> 1374 </tr> 1375 <tr class="row-odd"><td></td> 1376 <td>DetDepthRef</td> 1377 <td>(bool) If True then refine DetDepth during calibration/recalibration calculation.</td> 1378 </tr> 1379 <tr class="row-even"><td></td> 1380 <td>distance</td> 1381 <td>(float) The distance (mm) from sample to detector plane.</td> 1382 </tr> 1383 <tr class="row-odd"><td></td> 1384 <td>ellipses</td> 1385 <td>(list:lists) Each object in ellipses is a list [center,phi,radii,color] where 1386 center (list) is location (mm) of the ellipse center on the detector plane, phi is the 1387 rotation of the ellipse minor axis from the x-axis, and radii are the minor & major 1388 radii of the ellipse. If radii[0] is negative then parameters describe a hyperbola. Color 1389 is the selected drawing color (one of ‘b’, ‘g’ ,’r’) for the ellipse/hyperbola.</td> 1390 </tr> 1391 <tr class="row-even"><td></td> 1392 <td>edgemin</td> 1393 <td>(float) Not used; parameter in EdgeFinder code.</td> 1394 </tr> 1395 <tr class="row-odd"><td></td> 1396 <td>fullIntegrate</td> 1397 <td>(bool) If True then integrate over full 360 deg azimuthal range.</td> 1398 </tr> 1399 <tr class="row-even"><td></td> 1400 <td>GonioAngles</td> 1401 <td>(list:floats) The ‘Omega’,’Chi’,’Phi’ goniometer angles used for this image. 1402 Required for texture calculations.</td> 1403 </tr> 1404 <tr class="row-odd"><td></td> 1405 <td>invert_x</td> 1406 <td>(bool) If True display the image with the x-axis inverted.</td> 1407 </tr> 1408 <tr class="row-even"><td></td> 1409 <td>invert_y</td> 1410 <td>(bool) If True display the image with the y-axis inverted.</td> 1411 </tr> 1412 <tr class="row-odd"><td></td> 1413 <td>IOtth</td> 1414 <td>(list:floats) The minimum and maximum 2-theta values to be used for integration.</td> 1415 </tr> 1416 <tr class="row-even"><td></td> 1417 <td>LRazimuth</td> 1418 <td>(list:floats) The minimum and maximum azimuth values to be used for integration.</td> 1419 </tr> 1420 <tr class="row-odd"><td></td> 1421 <td>Oblique</td> 1422 <td>(list:float,bool) If True apply a detector absorption correction using the value to the 1423 intensities obtained during integration.</td> 1424 </tr> 1425 <tr class="row-even"><td></td> 1426 <td>outAzimuths</td> 1427 <td>(int) The number of azimuth pie slices.</td> 1428 </tr> 1429 <tr class="row-odd"><td></td> 1430 <td>outChannels</td> 1431 <td>(int) The number of 2-theta steps.</td> 1432 </tr> 1433 <tr class="row-even"><td></td> 1434 <td>pixelSize</td> 1435 <td>(list:ints) The X,Y dimensions (microns) of each pixel.</td> 1436 </tr> 1437 <tr class="row-odd"><td></td> 1438 <td>pixLimit</td> 1439 <td>(int) A box in the image with 2*pixLimit+1 edges is searched to find the maximum. 1440 This value (I) along with the minimum (Ib) in the box is reported by <a class="reference internal" href="GSASIIimage.html#GSASIIimage.ImageLocalMax" title="GSASIIimage.ImageLocalMax"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIimage.ImageLocalMax()</span></tt></a> 1441 and subject to cutoff in <a class="reference internal" href="GSASIIimage.html#GSASIIimage.makeRing" title="GSASIIimage.makeRing"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIimage.makeRing()</span></tt></a>. 1442 Locations are used to construct rings of points for calibration calcualtions.</td> 1443 </tr> 1444 <tr class="row-even"><td></td> 1445 <td>PolaVal</td> 1446 <td>(list:float,bool) If type=’SASD’ and if True, apply polarization correction to intensities from 1447 integration using value.</td> 1448 </tr> 1449 <tr class="row-odd"><td></td> 1450 <td>rings</td> 1451 <td>(list:lists) Each entry is [X,Y,dsp] where X & Y are lists of x,y coordinates around a 1452 diffraction ring with the same d-spacing (dsp)</td> 1453 </tr> 1454 <tr class="row-even"><td></td> 1455 <td>ring</td> 1456 <td>(list) The x,y coordinates of the >5 points on an inner ring 1457 selected by the user,</td> 1458 </tr> 1459 <tr class="row-odd"><td></td> 1460 <td>Range</td> 1461 <td>(list) The minimum & maximum values of the image</td> 1462 </tr> 1463 <tr class="row-even"><td></td> 1464 <td>rotation</td> 1465 <td>(float) The angle between the x-axis and the vector about which the 1466 detector is tilted. Constrained to -180 to 180 deg.</td> 1467 </tr> 1468 <tr class="row-odd"><td></td> 1469 <td>SampleShape</td> 1470 <td>(str) Currently only ‘Cylinder’. Sample shape for Debye-Scherrer experiments; used for absorption 1471 calculations.</td> 1472 </tr> 1473 <tr class="row-even"><td></td> 1474 <td>SampleAbs</td> 1475 <td>(list: float,bool) Value of absorption coefficient for Debye-Scherrer experimnents, flag if True 1476 to cause correction to be applied.</td> 1477 </tr> 1478 <tr class="row-odd"><td></td> 1479 <td>setDefault</td> 1480 <td>(bool) If True the use the image controls values for all new images to be read. (might be removed)</td> 1481 </tr> 1482 <tr class="row-even"><td></td> 1483 <td>setRings</td> 1484 <td>(bool) If True then display all the selected x,y ring positions (vida supra rings) used in the calibration.</td> 1485 </tr> 1486 <tr class="row-odd"><td></td> 1487 <td>showLines</td> 1488 <td>(bool) If True then isplay the integration limits to be used.</td> 1489 </tr> 1490 <tr class="row-even"><td></td> 1491 <td>size</td> 1492 <td>(list:int) The number of pixels on the image x & y axes</td> 1493 </tr> 1494 <tr class="row-odd"><td></td> 1495 <td>type</td> 1496 <td>(str) One of ‘PWDR’, ‘SASD’ or ‘REFL’ for powder, small angle or reflectometry data, respectively.</td> 1497 </tr> 1498 <tr class="row-even"><td></td> 1499 <td>tilt</td> 1500 <td>(float) The angle the detector normal makes with the incident beam; range -90 to 90.</td> 1501 </tr> 1502 <tr class="row-odd"><td></td> 1503 <td>wavelength</td> 1504 <td>(float) Tha radiation wavelength (Angstroms) as entered by the user (or someday obtained from the image header).</td> 1505 </tr> 1506 <tr class="row-even"><td>Masks</td> 1507 <td>Arcs</td> 1508 <td>(list: lists) Each entry [2-theta,[azimuth[0],azimuth[1]],thickness] describes an arc mask 1509 to be excluded from integration</td> 1510 </tr> 1511 <tr class="row-odd"><td></td> 1512 <td>Frames</td> 1513 <td>(list:lists) Each entry describes the x,y points (3 or more - mm) that describe a frame outside 1514 of which is excluded from recalibration and integration. Only one frame is allowed.</td> 1515 </tr> 1516 <tr class="row-even"><td></td> 1517 <td>Points</td> 1518 <td>(list:lists) Each entry [x,y,radius] (mm) describes an excluded spot on the image to be excluded 1519 from integration.</td> 1520 </tr> 1521 <tr class="row-odd"><td></td> 1522 <td>Polygons</td> 1523 <td>(list:lists) Each entry is a list of 3+ [x,y] points (mm) that describe a polygon on the image 1524 to be excluded from integration.</td> 1525 </tr> 1526 <tr class="row-even"><td></td> 1527 <td>Rings</td> 1528 <td>(list: lists) Each entry [2-theta,thickness] describes a ring mask 1529 to be excluded from integration.</td> 1530 </tr> 1531 <tr class="row-odd"><td></td> 1532 <td>Thresholds</td> 1533 <td>(list:[tuple,list]) [(Imin,Imax),[Imin,Imax]] This gives lower and upper limits for points on the image to be included 1534 in integrsation. The tuple is the image intensity limits and the list are those set by the user.</td> 1535 </tr> 1536 <tr class="row-even"><td>Stress/Strain</td> 1537 <td>Sample phi</td> 1538 <td>(float) Sample rotation about vertical axis.</td> 1539 </tr> 1540 <tr class="row-odd"><td></td> 1541 <td>Sample z</td> 1542 <td>(float) Sample translation from the calibration sample position (for Sample phi = 0)</td> 1543 </tr> 1544 <tr class="row-even"><td></td> 1545 <td>strain</td> 1546 <td>(list: 3x3 array of float) The strain tensor coefficients [[‘ e11’,’e12’,’e13’],[‘ e21’,’e22’,’e23’],[‘ e31’,’e32’,’e33’]]. 1547 These will be restricted by space group symmetry; result of strain fit refinement.</td> 1548 </tr> 1549 <tr class="row-odd"><td></td> 1550 <td>Type</td> 1551 <td>(str) ‘True’ or ‘Conventional’: The strain model used for the calculation.</td> 1552 </tr> 1553 <tr class="row-even"><td></td> 1554 <td>d-zero</td> 1555 <td>(list:dict) Each item is for a diffraction ring on the image; all items are from the same phase and are used to determine the strain tensor. 1556 The dictionary items are: 1557 ‘Dset’: (float) True d-spacing for the diffraction ring; entered by the user. 1558 ‘Dcalc’: (float) d-spacing... 1559 ‘pixLimit’: (int) Search range to find highest point on ring for each data point 1560 ‘cutoff’: (float) I/Ib cutoff for searching. 1561 ‘ImxyObs’: (list:lists) [[X],[Y]] observed points to be used for strain calculations. 1562 ‘ImxyCalc’:(list:lists) [[X],[Y]] calculated points based on refined strain.</td> 1563 </tr> 1564 </tbody> 1565 </table> 1566 </div> 1567 <div class="section" id="parameter-dictionary"> 1568 <h2>Parameter Dictionary<a class="headerlink" href="#parameter-dictionary" title="Permalink to this headline">¶</a></h2> 1569 <span class="target" id="parmdict-table"></span><p id="index-13">The parameter dictionary contains all of the variable parameters for the refinement. 1570 The dictionary keys are the name of the parameter (<phase>:<hist>:<name>:<atom>). 1571 It is prepared in two ways. When loaded from the tree 1572 (in <a class="reference internal" href="GSASII.html#GSASII.GSASII.MakeLSParmDict" title="GSASII.GSASII.MakeLSParmDict"><tt class="xref py py-meth docutils literal"><span class="pre">GSASII.GSASII.MakeLSParmDict()</span></tt></a> and 1573 <a class="reference internal" href="GSASIIGUIr.html#GSASIIIO.ExportBaseclass.loadParmDict" title="GSASIIIO.ExportBaseclass.loadParmDict"><tt class="xref py py-meth docutils literal"><span class="pre">GSASIIIO.ExportBaseclass.loadParmDict()</span></tt></a>), 1574 the values are lists with two elements: <tt class="docutils literal"><span class="pre">[value,</span> <span class="pre">refine</span> <span class="pre">flag]</span></tt></p> 1575 <p>When loaded from the GPX file (in 1576 <a class="reference internal" href="GSASIIstruc.html#GSASIIstrMain.Refine" title="GSASIIstrMain.Refine"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIstrMain.Refine()</span></tt></a> and <a class="reference internal" href="GSASIIstruc.html#GSASIIstrMain.SeqRefine" title="GSASIIstrMain.SeqRefine"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIstrMain.SeqRefine()</span></tt></a>), the value in the 1577 dict is the actual parameter value (usually a float, but sometimes a 1578 letter or string flag value (such as I or A for iso/anisotropic).</p> 1579 </div> 1275 1580 <div class="section" id="classes-and-routines"> 1276 1581 <h2><em>Classes and routines</em><a class="headerlink" href="#classes-and-routines" title="Permalink to this headline">¶</a></h2> … … 1403 1708 <p>This is called in two places (only) <a class="reference internal" href="GSASIIstruc.html#GSASIIstrIO.GetUsedHistogramsAndPhases" title="GSASIIstrIO.GetUsedHistogramsAndPhases"><tt class="xref py py-func docutils literal"><span class="pre">GSASIIstrIO.GetUsedHistogramsAndPhases()</span></tt></a> 1404 1709 (which loads the histograms and phases from a GPX file) and 1405 < tt class="xref py py-meth docutils literal"><span class="pre">GSASII.GSASII.GetUsedHistogramsAndPhases()</span></tt>1710 <a class="reference internal" href="GSASII.html#GSASII.GSASII.GetUsedHistogramsAndPhasesfromTree" title="GSASII.GSASII.GetUsedHistogramsAndPhasesfromTree"><tt class="xref py py-meth docutils literal"><span class="pre">GSASII.GSASII.GetUsedHistogramsAndPhasesfromTree()</span></tt></a> 1406 1711 (which loads the histograms and phases from the data tree.)</p> 1407 1712 <p>TODO: do we need a lookup for rigid body variables?</p> … … 1531 1836 </td> 1532 1837 </tr> 1533 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last">lbl if not found in labellist or lbl with <tt class="docutils literal"><span class="pre">_1-9 `</span> <span class="pre">(or</span>1534 < span class="pre">``_10-99</span></tt>, etc.) appended at the end</p>1838 <tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last">lbl if not found in labellist or lbl with <tt class="docutils literal"><span class="pre">_1-9</span></tt> (or 1839 <tt class="docutils literal"><span class="pre">_10-99</span></tt>, etc.) appended at the end</p> 1535 1840 </td> 1536 1841 </tr> … … 1665 1970 <li><a class="reference internal" href="#single-crystal-tree-items">Single Crystal Tree Items</a></li> 1666 1971 <li><a class="reference internal" href="#single-crystal-reflection-data-structure">Single Crystal Reflection Data Structure</a></li> 1972 <li><a class="reference internal" href="#image-data-structure">Image Data Structure</a></li> 1973 <li><a class="reference internal" href="#parameter-dictionary">Parameter Dictionary</a></li> 1667 1974 <li><a class="reference internal" href="#classes-and-routines"><em>Classes and routines</em></a></li> 1668 1975 </ul>
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