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(New page: == Hints for using SHARP == Data preparation: - 'unmerged and unscaled' is for SCALEPACK files ( no merge original index) - 'merged and unscaled' for data arising from several separate...) |
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== Hints for using SHARP == | == Hints for using SHARP == | ||
Data preparation: | Data preparation: | ||
* 'unmerged and unscaled' is for SCALEPACK files ( no merge original index) | |||
* 'merged and unscaled' for data arising from several separate conversions to MTZ files | |||
* 'merged and scaled' if there is a single MTZ with scaled datasets | |||
MAD: for the different datasets corresponding to different wavelengths, use identifiers 'peak', 'infl', 'hrem' and/or 'lrem' instead of 'w1' 'w2' and so on. This has the advantage that in autoSHARP, for running SHELXC, the wavelengths can be inferred from the identifiers (instead of from f' and f" which sometimes fails). | MAD: for the different datasets corresponding to different wavelengths, use identifiers 'peak', 'infl', 'hrem' and/or 'lrem' instead of 'w1' 'w2' and so on. This has the advantage that in autoSHARP, for running SHELXC, the wavelengths can be inferred from the identifiers (instead of from f' and f" which sometimes fails). | ||
Revision as of 15:53, 12 February 2008
Hints for using SHARP
Data preparation:
- 'unmerged and unscaled' is for SCALEPACK files ( no merge original index)
- 'merged and unscaled' for data arising from several separate conversions to MTZ files
- 'merged and scaled' if there is a single MTZ with scaled datasets
MAD: for the different datasets corresponding to different wavelengths, use identifiers 'peak', 'infl', 'hrem' and/or 'lrem' instead of 'w1' 'w2' and so on. This has the advantage that in autoSHARP, for running SHELXC, the wavelengths can be inferred from the identifiers (instead of from f' and f" which sometimes fails).