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1RQW: Difference between revisions
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== SAD: Peak data alone == | == SAD: Peak data alone == | ||
The structure was solved using the [http://schneider.group.ifom-ieo-campus.it/hkl2map/ hkl2map] GUI. | The structure was solved using the [http://schneider.group.ifom-ieo-campus.it/hkl2map/ hkl2map] GUI. Based on | ||
[[Image:1rqw-peak-self-anomCC-resolution.png]] | |||
[[Image:1rqw-peak-d"sig-resolution.png]] | [[Image:1rqw-peak-self-anomCC-resolution.png]] [[Image:1rqw-peak-d"sig-resolution.png]] | ||
[[Image:1rqw-peak-ccall-ccweak.png]] | |||
[[Image:1rqw-peak-histogram-ccall.png]] | I decided to use 3.3 Å as a suitable cutoff for solving the substructure. SHELXD then found | ||
[[Image:1rqw-peak-occupancy.png]] | |||
[[Image:1rqw-peak-contrast.png]] | [[Image:1rqw-peak-ccall-ccweak.png]] [[Image:1rqw-peak-histogram-ccall.png]] [[Image:1rqw-peak-occupancy.png]] | ||
[[Image:1rqw-peak-connectivity.png]] | |||
[[Image:1rqw-peak-estimated-ccmap.png]] | and SHELXE produced useful phases: | ||
[[Image:1rqw-peak-contrast.png]] [[Image:1rqw-peak-connectivity.png]] [[Image:1rqw-peak-estimated-ccmap.png]] | |||