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Yuequan,
I suspect that your different data sets have not all been indexed the
same way. As long as all the data are collected on the same crystal
(without dismounting it from the goniostat), you can avoid the problem
by indexing on just one of the data sets. Then use the orientation
matrix (or crystal rotation angles) from that indexing for all your data
sets. You will need to be sure to give the correct spindle angles for
the other sets, and of course you will need to do some refinement on
each, but this method will ensure that all the data are indexed the same
way.
Marian Szebenyi
MacCHESS, Cornell University
Yuequan Shen wrote:
>
> Hello, everyone,
>
> I got one weird thing happened during my last MAD data collection.
> There are total 52 Se sites in the one asymmetric unit of my crystal.
> The space group is P65. After collected 180 degree data set at the Se
> peak wavelength, I noticed significant decay (from 2.6A to 4.0) during
> the inverse beam data collection. I stopped the inverse beam data
> collection after collecting 90 degree data. And then I collect another
> 180 degree data set using the inverse beam after moving to the another
> spot of the crystal. I used the same strategy to collect data sets at
> inflection wavelength and remote wavelength using the same crystal.
> The problem occur during the data process. I had no any problem to
> scale the inf and rem data sets. However, I can not scale the peak
> data sets together (Rmerge =45% in every shell) collected from two
> different spots of the same crystal but no any problem to scale them
> separately (Rmerge=6.0% in total for each one). I tried other crystals
> and found the same thing.
> The cc value in SOLVE program between different wavelengths is 0.1 for
> peak vs inf or rem and 0.8 for inf vs rem. The SOLVE refuse to find
> any solution (" --No solutions found...quitting " ).
> .
>
> I am wondering if you guys have the similar experience. any
> suggestion and comments are welcome!
>
> yuequan
>
> the university of chicago
>
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