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
