Changeset 608
- Timestamp:
- May 9, 2012 11:13:49 AM (11 years ago)
- Location:
- trunk/help
- Files:
-
- 28 added
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/help/gsasII.html
r599 r608 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele</o:LastAuthor> 27 <o:Revision>8 6</o:Revision>27 <o:Revision>87</o:Revision> 28 28 <o:TotalTime>2820</o:TotalTime> 29 29 <o:Created>2011-11-28T16:49:00Z</o:Created> 30 <o:LastSaved>2012-05-0 7T19:57:00Z</o:LastSaved>30 <o:LastSaved>2012-05-08T16:10:00Z</o:LastSaved> 31 31 <o:Pages>8</o:Pages> 32 <o:Words>720 4</o:Words>33 <o:Characters>410 65</o:Characters>32 <o:Words>7207</o:Words> 33 <o:Characters>41080</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 35 <o:Lines>342</o:Lines> 36 36 <o:Paragraphs>96</o:Paragraphs> 37 <o:CharactersWithSpaces>481 73</o:CharactersWithSpaces>37 <o:CharactersWithSpaces>48191</o:CharactersWithSpaces> 38 38 <o:Version>14.00</o:Version> 39 39 </o:DocumentProperties> … … 605 605 mso-font-kerning:14.0pt;} 606 606 a:link, span.MsoHyperlink 607 {mso-style-noshow:yes; 608 mso-style-priority:99; 607 {mso-style-priority:99; 609 608 color:blue; 610 609 text-decoration:underline; … … 1964 1963 <o:lock v:ext="edit" aspectratio="t"/> 1965 1964 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75" 1966 alt="Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"1965 alt="Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo" 1967 1966 style='position:absolute;margin-left:44.8pt;margin-top:0;width:96pt;height:96pt; 1968 1967 z-index:251657728;visibility:visible;mso-wrap-style:square; … … 1977 1976 </v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png 1978 1977 align=right 1979 alt="Description: Description: Description: Description: Description: Description: Description: GSAS-II logo"1978 alt="Description: Description: Description: Description: Description: Description: Description: Description: GSAS-II logo" 1980 1979 v:shapes="Picture_x0020_2"><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Help 1981 1980 for GSAS-II<o:p></o:p></span></h1> … … 2009 2008 normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p> 2010 2009 2011 <p class=MsoNormal><strong>Lab X-ray powder pattern Rietveld refinement 2012 (future)<o:p></o:p></strong></p> 2010 <p class=MsoNormal><strong><a href="Laboratory%20X.htm"><span style='font-weight: 2011 normal'>Lab X-ray powder patt</span><span style='font-weight:normal'>ern 2012 Rietveld refinement</span></a><o:p></o:p></strong></p> 2013 2013 2014 2014 <p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span … … 2016 2016 constraints</span></a><o:p></o:p></strong></p> 2017 2017 2018 <p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement 2019 (future)<o:p></o:p></strong></p> 2018 <p class=MsoNormal><strong>Synchrotron X-ray powder pattern Rietveld refinement<o:p></o:p></strong></p> 2020 2019 2021 2020 <p class=MsoNormal><span class=GramE><strong>Crystal structure drawing (balls … … 2132 2131 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2133 2132 style='mso-bidi-font-weight:normal'>Read powder data…</b> - Read in 2134 powder diffraction patterns (multiple patterns can be selected). GSAS-II can 2135 readmost of the old GSAS powder format files with the position in <span2133 powder diffraction patterns (multiple patterns can be selected). GSAS-II can read 2134 most of the old GSAS powder format files with the position in <span 2136 2135 class=SpellE>centidegrees</span> 2-theta. It can also read “<span 2137 2136 class=SpellE>xye</span>” format files used by <span class=SpellE>topas</span> … … 2147 2146 style='mso-bidi-font-weight:normal'>Read image data…</b> - Read in 2-D 2148 2147 powder diffraction images (multiple patterns can be selected). GSAS-II can read 2149 many different image file formats including MAR345 files, Quantum ADSC files, 2150 and tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these 2151 formats have data fields that should contain relevant information for the2152 exposure (e.g. wavelength), these are rarely filled in correctly by the data 2153 acquisition software. Thus, you should have separately noted this information 2154 as it will beneeded</p>2148 many different image file formats including MAR345 files, Quantum ADSC files, and 2149 tiff files from Perkin-Elmer, Pilatus, and GE. Although many of these formats 2150 have data fields that should contain relevant information for the exposure 2151 (e.g. wavelength), these are rarely filled in correctly by the data acquisition 2152 software. Thus, you should have separately noted this information as it will be 2153 needed</p> 2155 2154 2156 2155 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 2229 2228 pair distribution function (PDF) controls for each powder pattern selected in 2230 2229 the dialog box. See <b style='mso-bidi-font-weight:normal'><span 2231 style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF 2232 Controls</a></span></b>for further directions.</p>2230 style='color:#4F81BD;mso-themecolor:accent1'><a href="#PDF_Controls">PDF Controls</a></span></b> 2231 for further directions.</p> 2233 2232 2234 2233 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 3013 3012 fixed. All values can be changed in this window.<o:p></o:p></span></p> 3014 3013 3015 <h5><a name="P eak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:3016 P eak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I3017 do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span3018 style='mso-bookmark:P eak_List'><span style='mso-fareast-font-family:"Times New Roman";3014 <h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark: 3015 Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can 3016 I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span 3017 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"; 3019 3018 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5> 3020 3019 3021 3020 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span 3022 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span3021 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span 3023 3022 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 3024 3023 normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span … … 3026 3025 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 3027 3026 normal;mso-bidi-font-weight:bold'>Menu ‘</span></span></span><span 3028 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><span3027 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 3029 3028 style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File’</span></span></span><span 3030 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><span3029 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 3031 3030 style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight: 3032 3031 normal;mso-bidi-font-weight:bold'> – <o:p></o:p></span></span></span></h5> … … 3034 3033 <p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto; 3035 3034 text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span 3036 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span3035 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span 3037 3036 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 3038 3037 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3039 3038 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span 3040 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><span3039 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 3041 3040 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 3042 3041 sample parameters shown to other selected powder patterns. If used, a dialog … … 3048 3047 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 3049 3048 text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span 3050 style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span3049 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span 3051 3050 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 3052 3051 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 3053 3052 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy 3054 flags</span></b></span></span><span style='mso-bookmark:P owder_Peaks'><span3055 style='mso-bookmark:P eak_List'><span style='mso-fareast-font-family:"Times New Roman"'>3053 flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span 3054 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'> 3056 3055 - – this copies the sample parameter refinement flags shown to other 3057 3056 selected powder patterns. If used, a dialog box (Copy refinement flags) will … … 3061 3060 ‘Cancel’ to cancel the operation. <o:p></o:p></span></span></span></p> 3062 3061 3063 <h4><span style='mso-bookmark:P owder_Peaks'><span style='mso-bookmark:Peak_List'><span3062 <h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span 3064 3063 style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span 3065 3064 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> … … 3396 3395 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine 3397 3396 unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 3398 – set this flag to refine the unit cell parameters in a Rietveld or 3399 Pawley refinement. The actual parameters refined are the symmetry allowed terms 3400 (A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style: 3401 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 3402 "Times New Roman"'><br> 3397 – set this flag to refine the unit cell parameters in a Rietveld or Pawley 3398 refinement. The actual parameters refined are the symmetry allowed terms (A<sub>0</sub>-A<sub>5</sub>) 3399 in the expression</span><i style='mso-bidi-font-style:normal'><span 3400 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><br> 3403 3401 </span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span 3404 3402 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; … … 3554 3552 rendered as lines, van der Waals radii balls, sticks, balls & sticks, 3555 3553 ellipsoids & sticks or <span class=SpellE>polyhedra</span>. There are two 3556 menus for this tab; Edit allows modification of the list of atoms to be rendered3557 and Compute gives some options for geometric characterization of selected 3558 atoms.</p>3554 menus for this tab; Edit allows modification of the list of atoms to be 3555 rendered and Compute gives some options for geometric characterization of 3556 selected atoms.</p> 3559 3557 3560 3558 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> … … 3805 3803 3806 3804 <p class=MsoNormal>This gives the list (magnitude, x y & z) of all peaks 3807 found within the unit cell from the last Fourier map search sorted in order of decreasing3808 peak magnitude. The crystal structure plot shows each peak position as a white 3809 3-D cross.</p>3805 found within the unit cell from the last Fourier map search sorted in order of 3806 decreasing peak magnitude. The crystal structure plot shows each peak position 3807 as a white 3-D cross.</p> 3810 3808 3811 3809 <h5>What can I do here?</h5> … … 3872 3870 mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032" 3873 3871 src=graphbar.jpg 3874 alt="Description: Description: Description: Description: Description: Description: Description: D :\pyGSAS\help\graphbar.jpg"></span><span3872 alt="Description: Description: Description: Description: Description: Description: Description: Description: D:\pyGSAS\help\graphbar.jpg"></span><span 3875 3873 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> 3876 3874 … … 3923 3921 3924 3922 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The 3925 powder patterns that are part of your project are shown on this page. They can 3926 be displayed as a stack of powder patterns, just a single pattern or as a 3927 contour image of the peak intensities. What can be done here will depend on 3928 which is displayed and on which item in the GSAS-II data tree you have 3929 selected.<o:p></o:p></span></p> 3923 powder patterns that are part of your project are shown on this page. They can be 3924 displayed as a stack of powder patterns, just a single pattern or as a contour 3925 image of the peak intensities. What can be done here will depend on which is 3926 displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p> 3930 3927 3931 3928 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> … … 3946 3943 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>On 3947 3944 the plot status line<b style='mso-bidi-font-weight:normal'> ‘key 3948 press’ </b>– you can either press the key on the key board or 3949 selectfrom the pull down menu. For line plots:</p>3945 press’ </b>– you can either press the key on the key board or select 3946 from the pull down menu. For line plots:</p> 3950 3947 3951 3948 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 4150 4147 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Move 4151 4148 the mouse cursor across the plot. If on a diagonal cell, the parameter name, 4152 value and <span class=SpellE>esd</span> is shown both as a tool tip and in the 4153 right hand portion of the status bar. If the cursor is off the diagonal, the 4154 two parameter names and their covariance are shown in the tool tip and the 4155 statusbar.</p>4149 value and <span class=SpellE>esd</span> is shown both as a tool tip and in the right 4150 hand portion of the status bar. If the cursor is off the diagonal, the two 4151 parameter names and their covariance are shown in the tool tip and the status 4152 bar.</p> 4156 4153 4157 4154 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo23'><![if !supportLists]><span … … 4202 4199 <span class=GramE>q(</span>=2</span><span style='font-family:Symbol;mso-fareast-font-family: 4203 4200 "Times New Roman"'>p</span><span style='mso-fareast-font-family:"Times New Roman"'>/d) 4204 from the Gaussian and Lorentzian parts of the profile function. The computed curves4205 are based on the values of U, V, W, X and Y shown in the Instrument Parameters 4206 window in parentheses. These are the values for the instrument contribution 4207 that were set when the powder pattern was first read in to GSAS-II. If 4208 individual peak fitting has been performed, the values of ‘sig’ 4209 & amp; ‘gam’ for the peaks are plotted as ‘+’; these are4210 computed from the fitted values of U, V, W, X and Y as well as any sig or gam 4211 individually refined.<o:p></o:p></span></p>4201 from the Gaussian and Lorentzian parts of the profile function. The computed 4202 curves are based on the values of U, V, W, X and Y shown in the Instrument 4203 Parameters window in parentheses. These are the values for the instrument 4204 contribution that were set when the powder pattern was first read in to 4205 GSAS-II. If individual peak fitting has been performed, the values of 4206 ‘sig’ & ‘gam’ for the peaks are plotted as 4207 ‘+’; these are computed from the fitted values of U, V, W, X and Y 4208 as well as any sig or gam individually refined.<o:p></o:p></span></p> 4212 4209 4213 4210 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4> -
trunk/help/gsasII_files/props011.xml
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