Changeset 610
- Timestamp:
- Dec 4, 2009 5:09:03 PM (14 years ago)
- File:
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- 1 edited
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trunk/doc/gsas2cif.html
- Property rcs:date changed from 2002/07/15 17:38:48 to 2002/07/18 19:59:42
- Property rcs:rev changed from 1.1 to 1.2
- Property rcs:lines set to +14 -10
r608 r610 27 27 </TH></TR></TABLE><BR CLEAR=ALL> 28 28 29 <img src="http://www.gsas.org/Articles/gsas-logo.gif" alt="Greater Seattle Aquarium Socie y Logo (www.gsas.org). Used with permission" HEIGHT=80 WIDTH=150 ALIGN=RIGHT>29 <img src="http://www.gsas.org/Articles/gsas-logo.gif" alt="Greater Seattle Aquarium Society Logo (www.gsas.org). Used with permission" HEIGHT=80 WIDTH=150 ALIGN=RIGHT> 30 30 <center><h1> 31 31 <HR noshade width="75%" size="2" align="center"> … … 93 93 supplied as input to GSAS. A few examples of information that 94 94 should likely be included in a CIF, but are not defined within GSAS are: 95 the data measurement temperature, sample prepar tion conditions,95 the data measurement temperature, sample preparation conditions, 96 96 publication information, and so on. 97 If the CIF will be used as suppl imentary material, to accompany a97 If the CIF will be used as supplementary material, to accompany a 98 98 publication, this sort of documentary information certainly should be 99 99 supplied, so that the CIF has value for archival and database purposes. … … 217 217 provided that a special CIF flag for each distance/angle 218 218 (_geom_bond_publ_flag and _geom_angle_publ_flag) indicates that these values 219 should be published. The digitin the first column of the219 should be published. The character in the first column of the 220 220 <I>expnam</I>.DISAGL indicates the value for this flag, when the 221 distances/angles are tabulated in the CIF. If this digit is 0 (zero), the 222 distance/angle is flagged as "do not publish". A value from 1 to 9 indicates 221 distances/angles are tabulated in the CIF. If this character is anything 222 other than "Y" or "y", the 223 distance/angle is flagged as "do not publish". A value of "Y" or "y" 224 indicates 223 225 this flag should be set to "publish." At present, the only way to change this 224 226 flag is manually, with a text editing program, such as wordpad or emacs. … … 226 228 <a href="#cifselect">CIFSelect</A>, is planned for this chore. 227 229 <P> 228 When DISAGL is first run, this flag digit is set to 0(do not publish)230 When DISAGL is first run, this flag character is set to N (do not publish) 229 231 for all distances and angles. However, if any of these flags are changed in 230 232 the .DISAGL file, these flag settings will be retained if DISAGL is rerun. … … 364 366 365 367 </BLOCKQUOTE> 366 <H3>Acknowledgements</H3> 367 <BLOCKQUOTE> 368 Richard L. Harlow first got me interested in the problem of a 368 <H3>Acknowledgments</H3> 369 <BLOCKQUOTE> 370 The GSAS2CIF program was written by Brian H. Toby, Robert B. Von Dreele and 371 Allen C. Larson. 372 <P>Richard L. Harlow first got me interested in the problem of a 369 373 universal file format for powder diffraction data, leading eventually to 370 374 my involvement with CIF and then this programming … … 428 432 </BLOCKQUOTE> 429 433 CIF also allows multiple values to be associated with a CIF data item. 430 This is done by prece eding the data name with the keyword loop_. If434 This is done by preceding the data name with the keyword loop_. If 431 435 two or more data names follow the loop_ keyword, a table can be 432 436 constructed, as is shown in the following examples.
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