Changeset 585
- Timestamp:
- May 4, 2012 4:24:07 PM (11 years ago)
- Location:
- trunk/help
- Files:
-
- 43 added
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/help/gsasII.html
r563 r585 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele</o:LastAuthor> 27 <o:Revision>7 8</o:Revision>28 <o:TotalTime>279 3</o:TotalTime>27 <o:Revision>79</o:Revision> 28 <o:TotalTime>2799</o:TotalTime> 29 29 <o:Created>2011-11-28T16:49:00Z</o:Created> 30 <o:LastSaved>2012-0 4-14T18:14:00Z</o:LastSaved>31 <o:Pages> 10</o:Pages>32 <o:Words>7 089</o:Words>33 <o:Characters>40 409</o:Characters>30 <o:LastSaved>2012-05-04T21:23:00Z</o:LastSaved> 31 <o:Pages>8</o:Pages> 32 <o:Words>7158</o:Words> 33 <o:Characters>40807</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 <o:Lines>3 36</o:Lines>36 <o:Paragraphs>9 4</o:Paragraphs>37 <o:CharactersWithSpaces>47 404</o:CharactersWithSpaces>35 <o:Lines>340</o:Lines> 36 <o:Paragraphs>95</o:Paragraphs> 37 <o:CharactersWithSpaces>47870</o:CharactersWithSpaces> 38 38 <o:Version>14.00</o:Version> 39 39 </o:DocumentProperties> … … 429 429 font-weight:bold;} 430 430 h4 431 {mso-style-priority:9; 431 {mso-style-noshow:yes; 432 mso-style-priority:9; 432 433 mso-style-qformat:yes; 433 434 mso-style-link:"Heading 4 Char"; … … 613 614 mso-fareast-font-family:"Times New Roman"; 614 615 mso-fareast-theme-font:minor-fareast;} 616 span.MsoIntenseReference 617 {mso-style-priority:32; 618 mso-style-unhide:no; 619 mso-style-qformat:yes; 620 font-variant:small-caps; 621 color:#C0504D; 622 mso-themecolor:accent2; 623 letter-spacing:.25pt; 624 font-weight:bold; 625 text-decoration:underline; 626 text-underline:single;} 615 627 span.Heading1Char 616 628 {mso-style-name:"Heading 1 Char"; … … 678 690 span.Heading4Char 679 691 {mso-style-name:"Heading 4 Char"; 692 mso-style-noshow:yes; 680 693 mso-style-priority:9; 681 694 mso-style-unhide:no; … … 1797 1810 <o:lock v:ext="edit" aspectratio="t"/> 1798 1811 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75" 1799 alt="Description: GSAS-II logo" style='position:absolute;margin-left:44.8pt; 1800 margin-top:0;width:96pt;height:96pt;z-index:251657728;visibility:visible; 1801 mso-wrap-style:square;mso-width-percent:0;mso-height-percent:0; 1802 mso-wrap-distance-left:0;mso-wrap-distance-top:0;mso-wrap-distance-right:0; 1803 mso-wrap-distance-bottom:0;mso-position-horizontal:right; 1804 mso-position-horizontal-relative:text;mso-position-vertical:absolute; 1805 mso-position-vertical-relative:line;mso-width-percent:0;mso-height-percent:0; 1806 mso-width-relative:page;mso-height-relative:page' o:allowoverlap="f"> 1812 alt="Description: Description: GSAS-II logo" style='position:absolute; 1813 margin-left:44.8pt;margin-top:0;width:96pt;height:96pt;z-index:251657728; 1814 visibility:visible;mso-wrap-style:square;mso-width-percent:0; 1815 mso-height-percent:0;mso-wrap-distance-left:0;mso-wrap-distance-top:0; 1816 mso-wrap-distance-right:0;mso-wrap-distance-bottom:0; 1817 mso-position-horizontal:right;mso-position-horizontal-relative:text; 1818 mso-position-vertical:absolute;mso-position-vertical-relative:line; 1819 mso-width-percent:0;mso-height-percent:0;mso-width-relative:page; 1820 mso-height-relative:page' o:allowoverlap="f"> 1807 1821 <v:imagedata src="gsas2logo.png"/> 1808 1822 <w:wrap type="square" anchory="line"/> 1809 1823 </v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png 1810 align=right alt="Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span1824 align=right alt="Description: Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span 1811 1825 style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1> 1812 1826 … … 1820 1834 representations of the results; and the console which has printout information 1821 1835 that can be selected, cut & pasted into a document. <o:p></o:p></span></p> 1836 1837 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> 1838 1839 <h2><strong>GSAS-II tutorials:<o:p></o:p></strong></h2> 1840 1841 <p class=MsoNormal><strong><a href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm"><span 1842 style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p> 1843 1844 <p class=MsoNormal><strong><a 1845 href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span 1846 style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p> 1847 1848 <p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight: 1849 normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p> 1850 1851 <p class=MsoNormal><strong>Powder pattern Rietveld refinement (future)<o:p></o:p></strong></p> 1852 1853 <p class=MsoNormal><strong>Crystal structure drawing (future)<o:p></o:p></strong></p> 1854 1855 <p class=MsoNormal><strong>Distance/Angle/Torsion <span class=GramE>calculations(</span>future)<o:p></o:p></strong></p> 1856 1857 <p class=MsoNormal><strong>Charge flipping structure solution(future)<o:p></o:p></strong></p> 1858 1859 <p class=MsoNormal><span class=GramE><strong>etc., etc.</strong></span><strong><o:p></o:p></strong></p> 1822 1860 1823 1861 <div class=MsoNormal align=center style='text-align:center'><span … … 2045 2083 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2046 2084 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2047 style='mso-bidi-font-weight:normal'>Refine</b> – This performs the 2048 refinement (Pawley/Rietveld or single crystal) according to the controls set in 2049 the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b> 2050 datatree item.</p>2085 style='mso-bidi-font-weight:normal'>Refine</b> – This performs the refinement 2086 (Pawley/Rietveld or single crystal) according to the controls set in the <b 2087 style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b> data 2088 tree item.</p> 2051 2089 2052 2090 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 2430 2468 a powder diffraction data set (prefix ‘PWDR’) is selected from the </span><a 2431 2469 href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data 2432 tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a variety2433 of subcategories in the tree are shown. The items that are shown depend on the 2434 data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>2470 tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a 2471 variety of subcategories in the tree are shown. The items that are shown depend 2472 on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p> 2435 2473 2436 2474 <h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span … … 2449 2487 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Analyze</span></b></span><span 2450 2488 style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'> 2451 – this produces a ‘normal probability’ plot for the 2452 re finement result as bounded by the limits. The slope and intercept ofthe2453 c urve in the central region (-1 < </span></span><span style='mso-bookmark:2454 Comments'><spanstyle='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span2489 – this produces a ‘normal probability’ plot for the refinement 2490 result as bounded by the limits. The slope and intercept of the curve in the 2491 central region (-1 < </span></span><span style='mso-bookmark:Comments'><span 2492 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>D</span></span><span 2455 2493 style='mso-bookmark:Comments'><span style='mso-fareast-font-family:"Times New Roman"'>/</span></span><span 2456 2494 style='mso-bookmark:Comments'><span style='font-family:Symbol;mso-fareast-font-family: … … 2465 2503 whatever comment lines (preceded by “#”) found when the powder data 2466 2504 file was read by GSAS-II. If you are lucky, there will be useful information 2467 here (e.g. sample name, date collected, wavelength used, etc.). If not, this window2468 wi ll be blank. The text is read-only in that anything you try to enter here is2469 not saved.</span></p>2505 here (e.g. sample name, date collected, wavelength used, etc.). If not, this 2506 window will be blank. The text is read-only in that anything you try to enter 2507 here is not saved.</span></p> 2470 2508 2471 2509 <span style='mso-bookmark:Comments'></span> … … 2527 2565 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2528 2566 window shows the choice of background functions and coefficients to be used in 2529 fitting this powder pattern. There are three types of contributions available 2530 forthe background:<o:p></o:p></span></p>2567 fitting this powder pattern. There are three types of contributions available for 2568 the background:<o:p></o:p></span></p> 2531 2569 2532 2570 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1). … … 2623 2661 flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– 2624 2662 this copies only the refinement flags shown to other selected powder patterns. 2625 If used, a dialog box (Copy Refinement Flags) will appear showing the list of available2626 powder patterns, you can copy the refinement flags to any or all of them; 2627 select ‘All’ to copy them to all patterns. Then select2663 If used, a dialog box (Copy Refinement Flags) will appear showing the list of 2664 available powder patterns, you can copy the refinement flags to any or all of 2665 them; select ‘All’ to copy them to all patterns. Then select 2628 2666 ‘OK’ to do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 2629 2667 … … 2703 2741 the current instrument parameter values in a simple text file (<span 2704 2742 class=SpellE>name.instprm</span>); you will be prompted for the file name 2705 – do not change the extension. This file may be edited but heed the warning2706 to not change the parameter names, the order of the parameter records or add 2707 new parameter records as this will invalidate the file. You may only change the 2708 numeric values if necessary. You can change or add comment records (begins with 2709 ‘#’).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>2743 – do not change the extension. This file may be edited but heed the 2744 warning to not change the parameter names, the order of the parameter records 2745 or add new parameter records as this will invalidate the file. You may only 2746 change the numeric values if necessary. You can change or add comment records 2747 (begins with ‘#’).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p> 2710 2748 2711 2749 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 2744 2782 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy 2745 2783 flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>- 2746 – this copies the instrument parameter refinement flags shown to other selected2747 powder patterns. If used, a dialog box (Copy refinement flags) will appear 2748 showing the list of available powder patterns, you can copy the instrument 2749 parameter refinement flags to any or all of them; select ‘All’ to 2750 copy them to all patterns. Then select ‘OK’ to do the copy; 2751 ‘Cancel’ to cancel the operation. The copy will only work for 2752 instrument parameters that are commensurate with the one that is shown, e.g. 2753 s ingle radiation patterns will not be updated from K</span><sub><span2784 – this copies the instrument parameter refinement flags shown to other 2785 selected powder patterns. If used, a dialog box (Copy refinement flags) will 2786 appear showing the list of available powder patterns, you can copy the 2787 instrument parameter refinement flags to any or all of them; select 2788 ‘All’ to copy them to all patterns. Then select ‘OK’ to 2789 do the copy; ‘Cancel’ to cancel the operation. The copy will only 2790 work for instrument parameters that are commensurate with the one that is 2791 shown, e.g. single radiation patterns will not be updated from K</span><sub><span 2754 2792 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span 2755 2793 style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span … … 2790 2828 class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the 2791 2829 ‘</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance’</span></a><span 2792 style='mso-fareast-font-family:"Times New Roman"'> display for highly 2793 correlatedparameters.<o:p></o:p></span></p>2830 style='mso-fareast-font-family:"Times New Roman"'> display for highly correlated 2831 parameters.<o:p></o:p></span></p> 2794 2832 2795 2833 <h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family: … … 2801 2839 fixed. All values can be changed in this window.<o:p></o:p></span></p> 2802 2840 2803 <h5><a name="P eak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:2804 P eak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I2805 do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span2806 style='mso-bookmark:P eak_List'><span style='mso-fareast-font-family:"Times New Roman";2841 <h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark: 2842 Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can 2843 I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span 2844 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; 2807 2845 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5> 2808 2846 2809 2847 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span 2810 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span2848 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span 2811 2849 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2812 2850 normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span … … 2814 2852 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2815 2853 normal;mso-bidi-font-weight:bold'>Menu ‘</span></span></span><span 2816 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><span2854 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 2817 2855 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File’</span></span></span><span 2818 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><span2856 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 2819 2857 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 2820 2858 normal;mso-bidi-font-weight:bold'> – <o:p></o:p></span></span></span></h5> … … 2822 2860 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto; 2823 2861 text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span 2824 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span2862 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span 2825 2863 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2826 2864 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2827 2865 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span 2828 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><span2866 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 2829 2867 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2830 2868 sample parameters shown to other selected powder patterns. If used, a dialog … … 2836 2874 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2837 2875 text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span 2838 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span2876 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span 2839 2877 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2840 2878 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2841 2879 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy 2842 flags</span></b></span></span><span style='mso-bookmark:P owder_Peaks'><span2843 style='mso-bookmark:P eak_List'><span style='mso-fareast-font-family:"Times New Roman"'>2880 flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span 2881 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'> 2844 2882 - – this copies the sample parameter refinement flags shown to other 2845 2883 selected powder patterns. If used, a dialog box (Copy refinement flags) will 2846 2884 appear showing the list of available powder patterns, you can copy the sample 2847 2885 parameter refinement flags to any or all of them; select ‘All’ to 2848 copy them to all patterns. Then select ‘OK’ to do the copy; 2849 ‘Cancel’to cancel the operation. <o:p></o:p></span></span></span></p>2850 2851 <h4><span style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><span2886 copy them to all patterns. Then select ‘OK’ to do the copy; ‘Cancel’ 2887 to cancel the operation. <o:p></o:p></span></span></span></p> 2888 2889 <h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 2852 2890 style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span 2853 2891 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> … … 2956 2994 peaks to the Peak list using the mouse on the plot by: 1) position the pointer 2957 2995 near to the top point on a peak, 2) press the left mouse button. The selected 2958 peak will be added to the Peak List in its correct sorted order and a blue 2959 vertical line will be plotted on that position. Be sure that the Zoom/Pan 2960 buttons are not selected on the Plot window. We recommend that you begin 2961 picking peaks from the right side of the pattern; that way the tool tip 2962 won’t be in your wayas you select peaks.<o:p></o:p></span></span></h5>2996 peak will be added to the Peak List in its correct sorted order and a blue vertical 2997 line will be plotted on that position. Be sure that the Zoom/Pan buttons are 2998 not selected on the Plot window. We recommend that you begin picking peaks from 2999 the right side of the pattern; that way the tool tip won’t be in your way 3000 as you select peaks.<o:p></o:p></span></span></h5> 2963 3001 2964 3002 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span … … 3135 3173 % of the maximum will be found in this procedure; they will be printed on the 3136 3174 console and will be shown in the ‘<a href="gsasII.html">Map peaks</a>’ 3137 page. This page will immediately be shown and the peaks will be shown on the structure3138 drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>3175 page. This page will immediately be shown and the peaks will be shown on the 3176 structure drawing for this phase as white 3-D crosses.<o:p></o:p></span></p> 3139 3177 3140 3178 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span … … 3184 3222 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine 3185 3223 unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 3186 – set this flag to refine the unit cell parameters in a Rietveld or 3187 Pawley refinement. The actual parameters refined are the symmetry allowed terms 3188 (A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style: 3189 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 3190 "Times New Roman"'><br> 3224 – set this flag to refine the unit cell parameters in a Rietveld or Pawley 3225 refinement. The actual parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>) 3226 in the expression</span><i style='mso-bidi-font-style:normal'><span 3227 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><br> 3191 3228 </span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span 3192 3229 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; … … 3353 3390 Selection from table: select individual atoms by a left click of the mouse when 3354 3391 pointed at the left most column (atom numbers) of the atom display; hold down 3355 the Ctrl key to add to your selection; a previously selected atom will be deselected.3356 A selected atom will be highlighted (in grey) and the atom will be shown in 3357 green on the plot. Selection without the Ctrl key will clear previous3392 the Ctrl key to add to your selection; a previously selected atom will be 3393 deselected. A selected atom will be highlighted (in grey) and the atom will be 3394 shown in green on the plot. Selection without the Ctrl key will clear previous 3358 3395 selections. A double left click in the (empty) upper left box will select or 3359 3396 deselect all atoms.</p> … … 3512 3549 style='mso-bidi-font-weight:normal'>Best plane</b> – when 4 or more atoms 3513 3550 are selected, a best plane is determined for them. The result is shown on the 3514 console window; it may be cut & pasted to another application (e.g. Microsoft3515 Word). Shown are the atom coordinates transformed to Cartesian best plane 3516 coordinates where the largest range is over the X-axis and the smallest is over 3517 the Z-axis with the origin at the <span class=SpellE>unweighted</span> center 3518 of the selection. Root mean square displacements along each axis for the best 3519 plane are also listed. The Z-axis RMS value indicates the flatness of the3551 console window; it may be cut & pasted to another application (e.g. 3552 Microsoft Word). Shown are the atom coordinates transformed to Cartesian best 3553 plane coordinates where the largest range is over the X-axis and the smallest 3554 is over the Z-axis with the origin at the <span class=SpellE>unweighted</span> 3555 center of the selection. Root mean square displacements along each axis for the 3556 best plane are also listed. The Z-axis RMS value indicates the flatness of the 3520 3557 proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select 3521 3558 (e.g. all) atoms then Best plane will give Cartesian coordinates for these … … 3527 3564 <h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4> 3528 3565 3529 <p class=MsoNormal>This gives the list of reflections used in a Pawley refinement3530 and can only be seen if the phase type is ‘Pawley’ (see<span3566 <p class=MsoNormal>This gives the list of reflections used in a Pawley 3567 refinement and can only be seen if the phase type is ‘Pawley’ (see<span 3531 3568 style='color:#00B0F0'> </span><a href="#General">General</a>)<span 3532 3569 style='color:#00B0F0'>.</span></p> … … 3597 3634 as a white 3-D cross.</p> 3598 3635 3599 <h5>What can I do here?< o:p></o:p></h5>3600 3601 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo2 4'><![if !supportLists]><span3636 <h5>What can I do here?</h5> 3637 3638 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span 3602 3639 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3603 3640 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Select 3604 3641 a peak with a left click on the left hand row number, hold Ctrl key down to add 3605 3642 more peaks to your selection. Each peak selected will show as a green 3-D cross 3606 on the crystal structure plot.< o:p></o:p></p>3607 3608 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo2 4'><![if !supportLists]><span3643 on the crystal structure plot.</p> 3644 3645 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo20'><![if !supportLists]><span 3609 3646 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3610 3647 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 3613 3650 3614 3651 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3615 auto;text-indent:-.25in;mso-list:l22 level2 lfo2 4;tab-stops:list 1.0in'><![if !supportLists]><span3652 auto;text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span 3616 3653 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3617 3654 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3621 3658 name ‘UNK’ and the atom type as ‘H’. They will also be 3622 3659 drawn as small white spheres at their respective positions in the structure 3623 drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and 3624 change the atom type to whatever element you desire; it will be renamed 3625 automatically.</p> 3660 drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and change 3661 the atom type to whatever element you desire; it will be renamed automatically.</p> 3626 3662 3627 3663 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3628 text-indent:-.25in;mso-list:l22 level2 lfo2 4;tab-stops:list 1.0in'><![if !supportLists]><span3664 text-indent:-.25in;mso-list:l22 level2 lfo20;tab-stops:list 1.0in'><![if !supportLists]><span 3629 3665 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3630 3666 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3631 style='mso-bidi-font-weight:normal'>Clear peaks </b>– this deletes all the3632 peaks in the map peak list; they are also removed from the crystal structure 3633 drawing plot.</p>3667 style='mso-bidi-font-weight:normal'>Clear peaks </b>– this deletes all 3668 the peaks in the map peak list; they are also removed from the crystal 3669 structure drawing plot.</p> 3634 3670 3635 3671 <div class=MsoNormal align=center style='text-align:center'><span … … 3654 3690 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 3655 3691 window presents all the graphical material as a multipage tabbed set of plots 3656 utilizing the <span class=SpellE>matplotlib</span> python package. Each page 3657 hasa tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p>3692 utilizing the <span class=SpellE>matplotlib</span> python package. Each page has 3693 a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p> 3658 3694 3659 3695 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"; 3660 3696 mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032" 3661 src=graphbar.jpg alt="Description: D :\pyGSAS\help\graphbar.jpg"></span><span3697 src=graphbar.jpg alt="Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span 3662 3698 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> 3663 3699 … … 3667 3703 <ul type=disc> 3668 3704 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3669 mso-list:l1 level1 lfo2 0;tab-stops:list .5in'><span style='mso-fareast-font-family:3705 mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: 3670 3706 "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li> 3671 3707 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3672 mso-list:l1 level1 lfo2 0;tab-stops:list .5in'><span style='mso-fareast-font-family:3708 mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: 3673 3709 "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li> 3674 3710 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3675 mso-list:l1 level1 lfo2 0;tab-stops:list .5in'><span style='mso-fareast-font-family:3711 mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: 3676 3712 "Times New Roman"'>Forward: reverses the action in the previous press(es) 3677 3713 of the Back button <o:p></o:p></span></li> 3678 3714 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3679 mso-list:l1 level1 lfo2 0;tab-stops:list .5in'><span style='mso-fareast-font-family:3715 mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: 3680 3716 "Times New Roman"'>Pan: allows you to control panning across the plot 3681 3717 (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li> 3682 3718 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3683 mso-list:l1 level1 lfo2 0;tab-stops:list .5in'><span style='mso-fareast-font-family:3719 mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: 3684 3720 "Times New Roman"'>Zoom: allows you to select a portion of the plot (press 3685 3721 right mouse button & drag for zoom box) for the next plot. <o:p></o:p></span></li> 3686 3722 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3687 mso-list:l1 level1 lfo2 0;tab-stops:list .5in'><span style='mso-fareast-font-family:3723 mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: 3688 3724 "Times New Roman"'>Save: allows you to save the currently displayed plot 3689 3725 in one of several graphical formats suitable for printing or insertion in 3690 3726 a document.<o:p></o:p></span></li> 3691 3727 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3692 mso-list:l1 level1 lfo2 0;tab-stops:list .5in'><span style='mso-fareast-font-family:3728 mso-list:l1 level1 lfo21;tab-stops:list .5in'><span style='mso-fareast-font-family: 3693 3729 "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li> 3694 3730 </ul> … … 3710 3746 3711 3747 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The 3712 powder patterns that are part of your project are shown on this page. They can be 3713 displayed as a stack of powder patterns, just a single pattern or as a contour 3714 image of the peak intensities. What can be done here will depend on which is 3715 displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p> 3748 powder patterns that are part of your project are shown on this page. They can 3749 be displayed as a stack of powder patterns, just a single pattern or as a 3750 contour image of the peak intensities. What can be done here will depend on 3751 which is displayed and on which item in the GSAS-II data tree you have 3752 selected.<o:p></o:p></span></p> 3716 3753 3717 3754 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3718 3755 3719 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo2 1'><![if !supportLists]><span3756 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span 3720 3757 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3721 3758 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3728 3765 style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p> 3729 3766 3730 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo2 1'><![if !supportLists]><span3767 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span 3731 3768 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3732 3769 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>On … … 3736 3773 3737 3774 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3738 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3775 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3739 3776 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3740 3777 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3745 3782 3746 3783 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3747 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3784 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3748 3785 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3749 3786 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3754 3791 3755 3792 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3756 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3793 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3757 3794 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3758 3795 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3763 3800 3764 3801 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3765 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3802 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3766 3803 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3767 3804 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3772 3809 3773 3810 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3774 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3811 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3775 3812 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3776 3813 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3781 3818 3782 3819 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3783 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3820 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3784 3821 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 3785 3822 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3790 3827 3791 3828 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3792 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3829 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3793 3830 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 3794 3831 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3800 3837 3801 3838 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3802 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3839 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3803 3840 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 3804 3841 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3809 3846 3810 3847 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3811 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3848 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3812 3849 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 3813 3850 style='font:7.0pt "Times New Roman"'> … … 3818 3855 3819 3856 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3820 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3857 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3821 3858 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 3822 3859 style='font:7.0pt "Times New Roman"'> … … 3828 3865 3829 3866 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3830 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3867 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3831 3868 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span 3832 3869 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3834 3871 profiles, only the observed curve is shown.</p> 3835 3872 3836 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo2 1'><![if !supportLists]><span3873 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span 3837 3874 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3838 3875 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3841 3878 3842 3879 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3843 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3880 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3844 3881 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3845 3882 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3851 3888 3852 3889 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3853 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3890 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3854 3891 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3855 3892 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3859 3896 3860 3897 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3861 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3898 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3862 3899 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 3863 3900 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3871 3908 3872 3909 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3873 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3910 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3874 3911 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 3875 3912 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3884 3921 3885 3922 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3886 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3923 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3887 3924 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 3888 3925 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3893 3930 contouring and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p> 3894 3931 3895 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo2 1'><![if !supportLists]><span3932 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo22'><![if !supportLists]><span 3896 3933 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 3897 3934 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3901 3938 3902 3939 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3903 auto;text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3940 auto;text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3904 3941 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3905 3942 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 3913 3950 3914 3951 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3915 text-indent:-.25in;mso-list:l4 level2 lfo2 1;tab-stops:list 1.0in'><![if !supportLists]><span3952 text-indent:-.25in;mso-list:l4 level2 lfo22;tab-stops:list 1.0in'><![if !supportLists]><span 3916 3953 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3917 3954 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3932 3969 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3933 3970 3934 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo2 2'><![if !supportLists]><span3971 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span 3935 3972 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3936 3973 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Move … … 3941 3978 status bar.</p> 3942 3979 3943 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo2 2'><![if !supportLists]><span3980 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span 3944 3981 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 3945 3982 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Use … … 3947 3984 matrix. </p> 3948 3985 3949 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo2 2'><![if !supportLists]><span3986 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span 3950 3987 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 3951 3988 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 3988 4025 <span class=GramE>q(</span>=2</span><span style='font-family:Symbol;mso-fareast-font-family: 3989 4026 "Times New Roman"'>p</span><span style='mso-fareast-font-family:"Times New Roman"'>/d) 3990 from the Gaussian and <span class=SpellE>Lorentzian</span> parts of the profile3991 function. The computed curves are based on the values of U, V, W, X and Y shown 3992 in the Instrument Parameters window in parentheses. These are the values for 3993 the instrument contribution that were set when the powder pattern was first 3994 read in to GSAS-II. If individual peak fitting has been performed, the values 3995 of‘sig’ & ‘gam’ for the peaks are plotted as4027 from the Gaussian and Lorentzian parts of the profile function. The computed 4028 curves are based on the values of U, V, W, X and Y shown in the Instrument 4029 Parameters window in parentheses. These are the values for the instrument 4030 contribution that were set when the powder pattern was first read in to 4031 GSAS-II. If individual peak fitting has been performed, the values of 4032 ‘sig’ & ‘gam’ for the peaks are plotted as 3996 4033 ‘+’; these are computed from the fitted values of U, V, W, X and Y 3997 4034 as well as any sig or gam individually refined.<o:p></o:p></span></p> … … 4062 4099 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Crystal Structure<o:p></o:p></span></h4> 4063 4100 4064 <p class=MsoNormal>This plot shows the atoms of the crystal structure. The atoms4065 a re displayed according to the controls in the <a href="gsasII.html">Draw Options</a>4066 page.</p>4101 <p class=MsoNormal>This plot shows the atoms of the crystal structure. The 4102 atoms are displayed according to the controls in the <a href="gsasII.html">Draw 4103 Options</a> page.</p> 4067 4104 4068 4105 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
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