Sorry for that incomplete last post
Thanks to everyone who wrote in with advice on scaling multi-crystal spacegroup P1
datasets together to increase redundancy for MAD/SAD/SAS phasing.
I have three questions about scaling and merging multi crystal datasets in scala
In our case we have the following
1) Crystal 1 - XNAME - C1 - DNAME peak1
DNAME inf1
2)Crystal 2 - XNAME- C2 DNAME peak1
The two crystals have cell dimensions within 1-2 % and I have cadded the output from mosflm for each of the crystals into one giant mtz file. No two batch numbers are the same .When we run scala the Job fails and We get errors like "Insufficient Data to determine parameters" erros - Too few reflections
Of course scala on each crystal separately works great and gives us reasonable correlation coefficients ( 0.2 to 0.3 for Correlations within half dataset for peak and inflection to 3.2 A. The overall redundancy is around 6-8. Rpim around 0.05 )
My question is can scala scale mutli-crystal datasets as I am attempting to do.
2) My second unrelated question is how can I DRENAME using cad on unmerged data. If I have run mosflm and then want to change the DNAME of a dataset , CAD says it can DRENAME a dataset , but at the same time CAD has a problem with unmerged mtz files. How can I edit the DNAME, XNAME, PNAME etc on an mtzfile output from mosflm
Your help is greatly appreciated.
Hari Jayaram
