*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
Dear All,
I am trying to copy an existing Rfree set from a high resolution (1.9 A) to
a low resolution dataset (2.8 A). I followed the instructions from the ccp4
documentation (under FreeR information). Running cad, I limited the
resolution for the input mtz to 2.8, so as not to copy Rfree column values
for the higher resolution reflections.
How can I make sure that the Rfree set is 5% for the low resolution
dataset, after copying the Rfree set. How can I obtain information about
the size of the Rfree in the resulting mtz file (mtzdump does not provide
this information)?
Is there a program to do that? I have tried DATAMAN (from the Uppsala
suite) but failed to load the mtz file from ccp4:
DATAMAN > re m1 xtal_5_1__001_SCALA_CAD_2.mtz
File type ? (*) ELEANOR
File : (xtal_5_1__001_SCALA_CAD_2.mtz)
Type : (ELEANOR)
Format : (*)
ERROR --- While reading reflection file
Nr of reflections read : ( 0)
Also, I ran uniqueify with the -f option after running cad. This seems
reasonable if the copied Rfree set does not make up more than 5% in the
final (low-resolution) dataset.
I am concerned about the situation if the copied RFree set exceeds 5% in
the final (low-resolution) dataset and about an even distribution of the
Rfree reflections in the resolution bins. I could only find an option to
remove reflections and change the bin distribution in the DATAMAN manual.
Is there an alternative way in ccp4?
What is the optimal way to do this?
Regards,
Daniel
