Changeset 1326
- Timestamp:
- May 6, 2014 9:19:05 AM (9 years ago)
- File:
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- 1 edited
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trunk/help/gsasII.html
r1314 r1326 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele</o:LastAuthor> 27 <o:Revision>1 37</o:Revision>28 <o:TotalTime>39 84</o:TotalTime>27 <o:Revision>140</o:Revision> 28 <o:TotalTime>3991</o:TotalTime> 29 29 <o:Created>2011-11-28T16:49:00Z</o:Created> 30 <o:LastSaved>2014-05-0 1T13:59:00Z</o:LastSaved>30 <o:LastSaved>2014-05-06T14:17:00Z</o:LastSaved> 31 31 <o:Pages>28</o:Pages> 32 <o:Words>108 47</o:Words>33 <o:Characters>61 831</o:Characters>32 <o:Words>10836</o:Words> 33 <o:Characters>61767</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 <o:Lines>51 5</o:Lines>36 <o:Paragraphs>14 5</o:Paragraphs>37 <o:CharactersWithSpaces>72 533</o:CharactersWithSpaces>35 <o:Lines>514</o:Lines> 36 <o:Paragraphs>144</o:Paragraphs> 37 <o:CharactersWithSpaces>72459</o:CharactersWithSpaces> 38 38 <o:Version>14.00</o:Version> 39 39 </o:DocumentProperties> … … 2318 2318 <h2><a name=Tutorials><strong>GSAS-II tutorials</strong></a><strong>:<o:p></o:p></strong></h2> 2319 2319 2320 <p class=MsoNormal><strong><a href="Starting%2 520GSAS.htm"><span2320 <p class=MsoNormal><strong><a href="Starting%20GSAS.htm"><span 2321 2321 style='font-weight:normal'>Starting GSAS-II</span></a><o:p></o:p></strong></p> 2322 2322 2323 <p class=MsoNormal><strong><a href="Fit%2 520Peaks.htm"><span style='font-weight:2323 <p class=MsoNormal><strong><a href="Fit%20Peaks.htm"><span style='font-weight: 2324 2324 normal'>Powder pattern peak picking, fitting and indexing</span></a><o:p></o:p></strong></p> 2325 2325 2326 <p class=MsoNormal><strong><a href="Laboratory%2 520X.htm"><span2327 style='font-weight:normal'>Lab X-ray powder pattern Rietveld refinement</span></a><o:p></o:p></strong></p>2328 2329 <p class=MsoNormal><strong><a href="Neutron%2 520CW%2520Powder%2520Data.htm"><span2326 <p class=MsoNormal><strong><a href="Laboratory%20X.htm"><span style='font-weight: 2327 normal'>Lab X-ray powder pattern Rietveld refinement</span></a><o:p></o:p></strong></p> 2328 2329 <p class=MsoNormal><strong><a href="Neutron%20CW%20Powder%20Data.htm"><span 2330 2330 style='font-weight:normal'>CW Neutron powder pattern Rietveld refinement with 2331 2331 constraints</span></a><o:p></o:p></strong></p> 2332 2332 2333 <p class=MsoNormal><strong><a href="Combined%2520refinement.htm"><span 2334 style='font-weight:normal'>Combined neutron x-ray Rietveld refinement and 2335 Fourier maps</span></a><o:p></o:p></strong></p> 2333 <p class=MsoNormal><strong><a href="Combined%20refinement.htm"><span 2334 style='font-weight:normal'>Combined neutron x-ray <span class=SpellE>Rietveld</span> 2335 refinement and Fourier maps</span></a><o:p></o:p></strong></p> 2336 2337 <p class=MsoNormal><strong><span style='font-weight:normal'><a 2338 href="Calibration%20of%20an%20area%20detector%20in%20GSAS.htm">2-D Image 2339 calibration<o:p></o:p></a></span></strong></p> 2336 2340 2337 2341 <p class=MsoNormal><strong><a 2338 href="Calibration%2520of%2520an%2520area%2520detector%2520in%2520GSAS.htm"><span 2339 style='font-weight:normal'>2-D Image calibration</span></a><o:p></o:p></strong></p> 2340 2341 <p class=MsoNormal><strong><a 2342 href="Integration%2520of%2520area%2520detector%2520data%2520in%2520GSAS.htm"><span 2342 href="Integration%20of%20area%20detector%20data%20in%20GSAS.htm"><span 2343 2343 style='font-weight:normal'>2-D Image integration</span></a><o:p></o:p></strong></p> 2344 2344 2345 <p class=MsoNormal><strong><a 2346 href="Strain%2520fitting%2520of%25202D%2520data%2520in%2520GSAS-II.htm"><span 2345 <p class=MsoNormal><strong><a href="Strain%20fitting%20of%202D%20data%20in%20GSAS-II.htm"><span 2347 2346 style='font-weight:normal'>2-D Strain data fitting</span></a><o:p></o:p></strong></p> 2348 2347 … … 2355 2354 2356 2355 <p class=MsoNormal><strong><span style='font-weight:normal'>Charge flipping 2357 structure solution</span> – <a href="Charge%2 520Flipping%2520in%2520GSAS.htm"><span2356 structure solution</span> – <a href="Charge%20Flipping%20in%20GSAS.htm"><span 2358 2357 class=SpellE><span style='font-weight:normal'>jadarite</span></span></a> & <a 2359 href="Charge%2 520Flipping%2520-%2520sucrose.htm"><span style='font-weight:normal'>sucrose</span></a><o:p></o:p></strong></p>2358 href="Charge%20Flipping%20-%20sucrose.htm"><span style='font-weight:normal'>sucrose</span></a><o:p></o:p></strong></p> 2360 2359 2361 2360 <p class=MsoNormal><strong><span style='font-weight:normal;mso-bidi-font-weight: 2362 bold'><a href="Small%2 520Angle%2520Size%2520Distribution.htm"><span2363 style='mso-bidi-font-weight:normal'>Small angle X-ray data size distribution</span></a><o:p></o:p></span></strong></p>2361 bold'><a href="Small%20Angle%20Size%20Distribution.htm"><span style='mso-bidi-font-weight: 2362 normal'>Small angle X-ray data size distribution</span></a><o:p></o:p></span></strong></p> 2364 2363 2365 2364 <p class=MsoNormal><strong><span style='font-weight:normal;mso-bidi-font-weight: … … 2879 2878 2880 2879 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2881 window provides a place for you to enter whatever text commentary you wish. Each2882 time you enter this window, a date/time entry is provided for you. A possibly 2883 useful technique is to select a portion of the <span class=SpellE>project.lst</span>2880 window provides a place for you to enter whatever text commentary you wish. 2881 Each time you enter this window, a date/time entry is provided for you. A 2882 possibly useful technique is to select a portion of the <span class=SpellE>project.lst</span> 2884 2883 file after a refinement completes (it will contain refinement results with 2885 2884 residuals, new values & <span class=SpellE>esds</span>) and paste it into … … 2926 2925 convergence; the refinement will stop when the change in the minimization 2927 2926 function is less than this value. Set Min delta-M/M = 1.0 to force just a 2928 single cycle to be performed. A value less than 10<sup>-4</sup> (the default) generally2929 g ives no better result. The allowed range is 10<sup>-9</sup> to 1.0.<o:p></o:p></span></p>2927 single cycle to be performed. A value less than 10<sup>-4</sup> (the default) 2928 generally gives no better result. The allowed range is 10<sup>-9</sup> to 1.0.<o:p></o:p></span></p> 2930 2929 2931 2930 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo2'><![if !supportLists]><span … … 2968 2967 2969 2968 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2970 window shows the constraints to be used in a refinement. It is organized into three2971 t abbed pages. ‘Phase constraints’ contain those involving parameters that2969 window shows the constraints to be used in a refinement. It is organized into 2970 three tabbed pages. ‘Phase constraints’ contain those involving parameters that 2972 2971 describe aspects of the crystalline phases to be used in the refinement (e.g. 2973 2972 atom coordinates, thermal motion and site fraction parameters). … … 3252 3251 sequence</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – 3253 3252 (Residue rigid bodies) this defines a variable torsion angle in a sequence of 3254 dialog boxes. The first one asks for the origin and the second asks for the pivot3255 atom for the torsion from the nearest neighbors to the origin atom; the atoms 3256 that ride on the selected torsion are automatically found from their bond3253 dialog boxes. The first one asks for the origin and the second asks for the 3254 pivot atom for the torsion from the nearest neighbors to the origin atom; the 3255 atoms that ride on the selected torsion are automatically found from their bond 3257 3256 lengths.<o:p></o:p></span></p> 3258 3257 … … 3263 3262 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Import 3264 3263 residues</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – 3265 (Residue rigid bodies) this reads a predetermined macro file that contains 3266 standard (<span class=SpellE>Engh</span> & Huber) coordinates for the amino 3267 acidsfound in natural proteins along with predetermined variable torsion angle3264 (Residue rigid bodies) this reads a predetermined macro file that contains standard 3265 (<span class=SpellE>Engh</span> & Huber) coordinates for the amino acids 3266 found in natural proteins along with predetermined variable torsion angle 3268 3267 definitions.<o:p></o:p></span></p> 3269 3268 … … 3334 3333 <h3>Histograms</h3> 3335 3334 3336 <p class=MsoNormal>These are shown in the data tree with a prefix of ‘PWDR’, ’HKLF’,3337 ‘IMG’, or ‘PDF’ and usually a file name. These constitute the data sets3335 <p class=MsoNormal>These are shown in the data tree with a prefix of ‘PWDR’, 3336 ’HKLF’, ‘IMG’, or ‘PDF’ and usually a file name. These constitute the data sets 3338 3337 (‘Histograms’) to be used by GSAS-II for analysis. Selection of these items 3339 3338 does not produce any information in the data window but does display the data … … 3378 3377 3379 3378 <p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows 3380 whatever comment lines (preceded by “#”) found when the powder data file was 3381 readby GSAS-II. If you are lucky, there will be useful information here (e.g.3379 whatever comment lines (preceded by “#”) found when the powder data file was read 3380 by GSAS-II. If you are lucky, there will be useful information here (e.g. 3382 3381 sample name, date collected, wavelength used, etc.). If not, this window will 3383 3382 be blank. The text is read-only.</span></p> … … 3500 3499 3501 3500 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3). 3502 A set of individual Bragg peaks using the pseudo-Voigt profile function as 3503 theirshapes. Their parameters are ‘<span class=SpellE>pos</span>’, ’<span3501 A set of individual Bragg peaks using the pseudo-Voigt profile function as their 3502 shapes. Their parameters are ‘<span class=SpellE>pos</span>’, ’<span 3504 3503 class=SpellE>int</span>’, ‘sig’ & ‘gam’; each can be selected for 3505 3504 refinement. The default values for sig & gam (=0.10) are for very sharp … … 3533 3532 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy 3534 3533 flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– this 3535 copies only the refinement flags shown to other selected powder patterns. If used,3536 a dialog box (Copy Refinement Flags) will appear showing the list of available 3537 powder patterns, you can copy the refinement flags to any or all of them; 3538 select ‘All’ to copy them to all patterns. Then select ‘OK’ to do the copy; 3539 ‘Cancel’ to cancel the operation.<o:p></o:p></span></p>3534 copies only the refinement flags shown to other selected powder patterns. If 3535 used, a dialog box (Copy Refinement Flags) will appear showing the list of 3536 available powder patterns, you can copy the refinement flags to any or all of 3537 them; select ‘All’ to copy them to all patterns. Then select ‘OK’ to do the 3538 copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 3540 3539 3541 3540 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l23 level1 lfo10'><![if !supportLists]><span … … 3577 3576 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 3578 3577 style='mso-fareast-font-family:"Times New Roman"'>You can introduce single 3579 Bragg peaks into the background. For each you should specify at least the position.3580 Select parameters to refine; usually start with the ‘<span class=SpellE>int</span>’ 3581 c oefficients.<o:p></o:p></span></p>3578 Bragg peaks into the background. For each you should specify at least the 3579 position. Select parameters to refine; usually start with the ‘<span 3580 class=SpellE>int</span>’ coefficients.<o:p></o:p></span></p> 3582 3581 3583 3582 <h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family: … … 3613 3612 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span 3614 3613 style='mso-fareast-font-family:"Times New Roman"'>Load profile… </span></b><span 3615 style='mso-fareast-font-family:"Times New Roman"'>- loads a GSAS-II instrument parameter 3616 file (name.instprm), replacing the existing instrument parameter values. All 3617 refinement flags are unset.<span class=MsoHyperlink><b style='mso-bidi-font-weight: 3618 normal'><span style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></b></span></span></p> 3614 style='mso-fareast-font-family:"Times New Roman"'>- loads a GSAS-II instrument 3615 parameter file (name.instprm), replacing the existing instrument parameter 3616 values. All refinement flags are unset.<span class=MsoHyperlink><b 3617 style='mso-bidi-font-weight:normal'><span style='color:windowtext;text-decoration: 3618 none;text-underline:none'><o:p></o:p></span></b></span></span></p> 3619 3619 3620 3620 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 3804 3804 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'> 3805 3805 - – this copies the sample parameter refinement flags shown to other selected 3806 powder patterns. If used, a dialog box (Copy refinement flags) will appear showing3807 the list of available powder patterns, you can copy the sample parameter 3808 refinement flags to any or all of them; select ‘All’ to copy them to all 3809 patterns. Then select ‘OK’ to do the copy; ‘Cancel’ to cancel the operation. <span 3810 class=MsoHyperlink><span style='color:windowtext;text-decoration:none; 3811 text-underline:none'><o:p></o:p></span></span></span></span></p>3806 powder patterns. If used, a dialog box (Copy refinement flags) will appear 3807 showing the list of available powder patterns, you can copy the sample 3808 parameter refinement flags to any or all of them; select ‘All’ to copy them to 3809 all patterns. Then select ‘OK’ to do the copy; ‘Cancel’ to cancel the 3810 operation. <span class=MsoHyperlink><span style='color:windowtext;text-decoration: 3811 none;text-underline:none'><o:p></o:p></span></span></span></span></p> 3812 3812 3813 3813 <h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family: … … 4055 4055 style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> 4056 4056 </span></span></span></span><![endif]><span style='mso-fareast-font-family: 4057 "Times New Roman"'>You may deselect individual peaks from indexing by unchecking4058 the corresponding ‘use’ box.<span class=MsoHyperlink><span style='color:windowtext; 4059 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p>4057 "Times New Roman"'>You may deselect individual peaks from indexing by 4058 unchecking the corresponding ‘use’ box.<span class=MsoHyperlink><span 4059 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p> 4060 4060 4061 4061 <h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span … … 4162 4162 style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'> 4163 4163 </span></span></span></span><![endif]><span style='mso-fareast-font-family: 4164 "Times New Roman"'>Menu<b style='mso-bidi-font-weight:normal'> ‘Cell Index/Refine’4165 </b>– <span class=MsoHyperlink><span style='color:windowtext;text-decoration: 4166 none;text-underline:none'><o:p></o:p></span></span></span></span></p>4164 "Times New Roman"'>Menu<b style='mso-bidi-font-weight:normal'> ‘Cell 4165 Index/Refine’ </b>– <span class=MsoHyperlink><span style='color:windowtext; 4166 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p> 4167 4167 4168 4168 <p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space: … … 4776 4776 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span 4777 4777 style='mso-fareast-font-family:"Times New Roman"'>Normalizing element </span></b><span 4778 style='mso-fareast-font-family:"Times New Roman"'>– This is an element form factor4779 chosen to normalize the structure factors before charge flipping. <b4778 style='mso-fareast-font-family:"Times New Roman"'>– This is an element form 4779 factor chosen to normalize the structure factors before charge flipping. <b 4780 4780 style='mso-bidi-font-weight:normal'>None</b> (the default) can be selected from 4781 4781 the lower right of the Periodic Table display shown when this is selected.<span … … 4830 4830 set from</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – 4831 4831 This is the source of structure factors to be used in a charge flip 4832 calculation. These may be either a single crystal data set, or structure factors4833 extracted from a powder pattern via a Pawley refinement or a Rietveld4832 calculation. These may be either a single crystal data set, or structure 4833 factors extracted from a powder pattern via a Pawley refinement or a Rietveld 4834 4834 refinement.<o:p></o:p></span></p> 4835 4835 … … 4938 4938 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span 4939 4939 style='mso-fareast-font-family:"Times New Roman"'>Shift LMB</span></b><span 4940 style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects all4941 a toms from last selection to the selected row (or top is none previously4940 style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects 4941 all atoms from last selection to the selected row (or top is none previously 4942 4942 selected).<span class=MsoHyperlink><span style='color:windowtext;text-decoration: 4943 4943 none;text-underline:none'><o:p></o:p></span></span></span></p> … … 4962 4962 style='mso-fareast-font-family:"Times New Roman"'>Alt LMB</span></b><span 4963 4963 style='mso-fareast-font-family:"Times New Roman"'> – on a row number selects 4964 that atom for moving; the status line at bottom of window will show name of atom4965 selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b> again to4964 that atom for moving; the status line at bottom of window will show name of 4965 atom selected. Use <b style='mso-bidi-font-weight:normal'>Alt LMB</b> again to 4966 4966 select a target row for this atom; insertion will be before this row and the 4967 4967 table will be updated to show the change. NB: the <b style='mso-bidi-font-weight: … … 4996 4996 </span></span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span 4997 4997 style='mso-fareast-font-family:"Times New Roman"'>Atom data item editing tools</span></b><span 4998 style='mso-fareast-font-family:"Times New Roman"'> – These are controlled by the4999 mouse (<b style='mso-bidi-font-weight:normal'>Alt</b> ignored, <b4998 style='mso-fareast-font-family:"Times New Roman"'> – These are controlled by 4999 the mouse (<b style='mso-bidi-font-weight:normal'>Alt</b> ignored, <b 5000 5000 style='mso-bidi-font-weight:normal'>Shift</b> & <b style='mso-bidi-font-weight: 5001 5001 normal'>Ctrl</b> allow selection of multiple cells but no use is made of them). … … 5036 5036 </span></span></span></span><![endif]><span class=GramE><b style='mso-bidi-font-weight: 5037 5037 normal'><span style='mso-fareast-font-family:"Times New Roman"'>refine</span></b></span><span 5038 style='mso-fareast-font-family:"Times New Roman"'> – shows a pulldown of allowed5039 refinement flag choices to be shown; select one (top entry is blank for no 5040 refinement).<span class=MsoHyperlink><span style='color:windowtext;text-decoration: 5041 none;text-underline:none'><o:p></o:p></span></span></span></p>5038 style='mso-fareast-font-family:"Times New Roman"'> – shows a pulldown of 5039 allowed refinement flag choices to be shown; select one (top entry is blank for 5040 no refinement).<span class=MsoHyperlink><span style='color:windowtext; 5041 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></p> 5042 5042 5043 5043 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: … … 5422 5422 <h4><span style='mso-bookmark:Pawley'>Map peaks</span></h4> 5423 5423 5424 <p class=MsoNormal><span style='mso-bookmark:Pawley'>This gives the list (magnitude,5425 x y & z) of all peaks found within the unit cell from the last5424 <p class=MsoNormal><span style='mso-bookmark:Pawley'>This gives the list 5425 (magnitude, x y & z) of all peaks found within the unit cell from the last 5426 5426 Fourier/charge flip map search sorted in order of decreasing peak magnitude. 5427 The crystal structure plot shows each peak position as a white to dark gray 5428 cross; the shade is determined from the magnitude for the peak relative to the 5429 maximumpeak magnitude.</span></p>5427 The crystal structure plot shows each peak position as a white to dark gray cross; 5428 the shade is determined from the magnitude for the peak relative to the maximum 5429 peak magnitude.</span></p> 5430 5430 5431 5431 <h5><span style='mso-bookmark:Pawley'>What can I do here?</span></h5> … … 5542 5542 class=MsoHyperlink><span style='color:#4F81BD;mso-themecolor:accent1'><o:p></o:p></span></span></span></h4> 5543 5543 5544 <p class=MsoNormal><span style='mso-bookmark:Pawley'>This gives the list of 5545 reflections used in a Pawley refinement and can only be seen if the phase type 5546 is ‘Pawley’(see </span><a href="#General"><span style='mso-bookmark:Pawley'><span5544 <p class=MsoNormal><span style='mso-bookmark:Pawley'>This gives the list of reflections 5545 used in a Pawley refinement and can only be seen if the phase type is ‘Pawley’ 5546 (see </span><a href="#General"><span style='mso-bookmark:Pawley'><span 5547 5547 style='color:windowtext;text-decoration:none;text-underline:none'>General</span></span></a><span 5548 5548 style='mso-bookmark:Pawley'>).</span></p> … … 5561 5561 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'> 5562 5562 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Pawley 5563 create</b> – this creates a new set of Pawley reflections, over writing any 5564 preexisting Pawley set. They are generated with d-spacings larger than the 5565 limit set as ‘Pawley dmin’ in the General tab for this phase. By default the 5566 refine flagsare not set and the <span class=SpellE><span class=GramE>Fsq</span></span><span5563 create</b> – this creates a new set of Pawley reflections, over writing any preexisting 5564 Pawley set. They are generated with d-spacings larger than the limit set as 5565 ‘Pawley dmin’ in the General tab for this phase. By default the refine flags 5566 are not set and the <span class=SpellE><span class=GramE>Fsq</span></span><span 5567 5567 class=GramE>(</span><span class=SpellE>hkl</span>) = 100.0.</span></p> 5568 5568 … … 5640 5640 5641 5641 <p class=MsoNormal align=center style='text-align:center'><span 5642 style='mso-bookmark:Pawley'><o:p> </o:p></span></p> 5643 5644 <p class=MsoNormal align=center style='text-align:center'><span 5642 5645 style='mso-bookmark:Pawley'><span class=MsoHyperlink><span style='color:windowtext; 5643 5646 text-decoration:none;text-underline:none'><o:p> </o:p></span></span></span></p> … … 5656 5659 5657 5660 </span></span></a></div> 5661 5662 <p class=MsoNormal align=center style='text-align:center'><span 5663 style='mso-bookmark:Pawley'><o:p> </o:p></span></p> 5658 5664 5659 5665 <p class=MsoNormal align=center style='text-align:center'><span … … 5766 5772 5767 5773 <p class=MsoNormal><span style='mso-bookmark:Pawley'><span style='mso-fareast-font-family: 5768 "Times New Roman"'>Below the toolbar may be a status bar that on the left may show5769 either an instruction for a keyed input or a pull down selection of keyed5774 "Times New Roman"'>Below the toolbar may be a status bar that on the left may 5775 show either an instruction for a keyed input or a pull down selection of keyed 5770 5776 input; on the right may be displayed position dependent information that is 5771 5777 updated as the mouse is moved over the plot region.<span class=MsoHyperlink><span … … 6020 6026 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></b></span><span 6021 6027 style='mso-bookmark:Pawley'><span style='mso-fareast-font-family:"Times New Roman"'> 6022 - Modify the values of ‘changed’; this can be done on the plot by dragging the 6023 limit bars (left – vertical green dashed line, right – vertical red dashed 6024 line) into position. A left or right mouse click on a data point on the plot 6025 will set the associated limit. In either case the appropriate value on the 6026 ‘changed’ row will be updated immediately.<span class=MsoHyperlink><span 6027 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p>6028 - Modify the values of ‘changed’; this can be done on the plot by dragging the limit 6029 bars (left – vertical green dashed line, right – vertical red dashed line) into 6030 position. A left or right mouse click on a data point on the plot will set the 6031 associated limit. In either case the appropriate value on the ‘changed’ row 6032 will be updated immediately.<span class=MsoHyperlink><span style='color:windowtext; 6033 text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p> 6028 6034 6029 6035 <h4><span style='mso-bookmark:Pawley'><a name=Covariance><span … … 6037 6043 "Times New Roman"'>The variance-covariance matrix as a color coded array is 6038 6044 shown on this page. The color bar to the right shows the range of covariances 6039 (-1 to 1) and corresponding colors. The parameter names are to the right and 6040 theparameter numbers are below the plot.<span class=MsoHyperlink><span6045 (-1 to 1) and corresponding colors. The parameter names are to the right and the 6046 parameter numbers are below the plot.<span class=MsoHyperlink><span 6041 6047 style='color:windowtext;text-decoration:none;text-underline:none'><o:p></o:p></span></span></span></span></p> 6042 6048 … … 6220 6226 none'><o:p></o:p></span></span></span></span></h4> 6221 6227 6222 <p class=MsoNormal><span style='mso-bookmark:Pawley'>This plot shows the atoms 6223 of the crystal structure. The atoms are displayed according to the controls in 6224 the</span><a href="gsasII.html"><span style='mso-bookmark:Pawley'><span6228 <p class=MsoNormal><span style='mso-bookmark:Pawley'>This plot shows the atoms of 6229 the crystal structure. The atoms are displayed according to the controls in the 6230 </span><a href="gsasII.html"><span style='mso-bookmark:Pawley'><span 6225 6231 style='color:windowtext;text-decoration:none;text-underline:none'>Draw Options</span></span></a><span 6226 6232 style='mso-bookmark:Pawley'> page.</span></p> … … 6243 6249 6244 6250 </span></span></a></div> 6251 6252 <p class=MsoNormal align=center style='text-align:center'><span 6253 style='mso-bookmark:Pawley'><o:p> </o:p></span></p> 6245 6254 6246 6255 <p class=MsoNormal align=center style='text-align:center'><span
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