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SHELX C/D/E: Difference between revisions
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m
→RIP
(→RIP) |
m (→RIP) |
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shelxe jia jia_fa -h -s0.6 -m20 -b -i | shelxe jia jia_fa -h -s0.6 -m20 -b -i | ||
The critical point for RIP is that you have to try many different DSCA values in the range 0.9 to 1.05. | The critical point for RIP is that you have to try many (about 100) different DSCA values in the range 0.9 to 1.05. The DSCA value that results in the highest CCweak should be chosen. | ||
The -h option is included for SHELXE because the native has heavy atoms. Recycling of the positive and difference peaks produced by –b is normally necessary (rename jia.hat or jia_i.hat to jia_fa.res). | The -h option is included for SHELXE because the native has heavy atoms. Recycling of the positive and difference peaks produced by –b is normally necessary (rename jia.hat or jia_i.hat to jia_fa.res). | ||