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1Y13-DAD: Difference between revisions
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== hkl2map == | == hkl2map == | ||
=== | === SHELXC === | ||
[[File:1y13-dad-chi2-vs-resol.png]] | [[File:1y13-dad-chi2-vs-resol.png]] | ||
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[[File:1y13-dad-anom-cc.png]] | [[File:1y13-dad-anom-cc.png]] | ||
=== SHELXD === | === SHELXD === | ||
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In no particular order: | In no particular order: | ||
* That the dispersive signal helps a lot in substructure solution: 27 successful trial in 100 using DAD, instead of 1 using pseudo-SAD. | * That the dispersive signal helps a lot in substructure solution: 27 successful trial in 100 using DAD, instead of 1 using pseudo-SAD. | ||
* That the correlation coefficient between two wavelengths of a MAD experiment can be better than 0.9995 if there is no difference in radiation damage (in other words, the dispersive signal does not seem to significantly lower the correlation). | |||
* That the correlation coefficient between two wavelengths of a MAD experiment can be better than 0.9995 if there is no difference in radiation damage ( | |||
* That zero-dose extrapolation helps a lot, and works very well: if it is not done, we obtain only 5 correct solutions out of 100, and the highest CCall / CCweak is 17.85 / 12.33 instead of 36.34 / 25.24 (I don't show the plots here). | * That zero-dose extrapolation helps a lot, and works very well: if it is not done, we obtain only 5 correct solutions out of 100, and the highest CCall / CCweak is 17.85 / 12.33 instead of 36.34 / 25.24 (I don't show the plots here). | ||
* That the wavelength change only takes 3 seconds at this beamline, which makes such an experiment really attractive. | * That the wavelength change only takes 3 seconds at this beamline, which makes such an experiment really attractive. | ||
== Availability of data == | |||
The directory [https://{{SERVERNAME}}/pub/xds-datared/1y13] has tarballs of the raw data. The XDS-processed data are available at [https://{{SERVERNAME}}/pub/xds-datared/1y13/e1_1-372_XDS_ASCII.HKL.bz2] and [https://{{SERVERNAME}}/pub/xds-datared/1y13/e2_1-369_XDS_ASCII.HKL.bz2]. | |||