Yes, if your data does not extend to high resolution, your free
reflections will not extend to high resolution either (e.g. are not
observed).
Herman
________________________________
From: CCP4 bulletin board [mailto:[email protected]] On
Behalf Of Antony Oliver
Sent: Monday, November 05, 2012 10:53 AM
To: [email protected]
Subject: [ccp4bb] Copying R-free flags - possibly daft question.
Am I worrying about something unnecessarily?
I have several protein-drug datasets, all in the same
spacegroup, but wildly varying resolutions.
I wish to use the same reflections for calculating R-free in all
cases.
Using xia2 with a reference dataset for both indexing and R-free
seems to work fine, apart from the fact that the resulting mtz file, now
contains R-free labels for reflections that have no observations... i.e.
taken from the higher resolution "reference dataset"; see output below.
I get essentially the same results using CAD to copy the R-free
column between mtzfiles....
Is this actually a problem - or is it just my innate sense of
tidiness that wants the resolution values to be the same?
Many thanks,
Antony.
Col Sort Min Max Num % Mean Mean
Resolution Type Column
num order Missing complete abs. Low
High label
1 ASC 0 36 0 100.00 14.2 14.2 57.66
2.02 H H
2 NONE 0 36 0 100.00 14.6 14.6 57.66
2.02 H K
3 NONE 0 38 0 100.00 14.8 14.8 57.66
2.02 H L
4 NONE 0.0 19.0 132 99.18 9.52 9.52 57.40
2.02 I FreeR_flag
5 NONE -30.6 10855.5 11647 28.03 202.72 203.43 57.66
3.17 J IMEAN
6 NONE 1.5 356.4 11647 28.03 11.52 11.52 57.66
3.17 Q SIGIMEAN
7 NONE 7.8 1040.0 11647 28.03 109.05 109.05 57.66
3.17 F F
8 NONE 1.4 23.8 11647 28.03 6.59 6.59 57.66
3.17 Q SIGF
No. of reflections used in FILE STATISTICS 16183
---
Dr Antony W Oliver
Senior Research Fellow
CR-UK DNA Repair Enzymes Group
Genome Damage and Stability Centre
Science Park Road
University of Sussex
Falmer, Brighton, BN1 9RQ
email: [email protected]
tel (office): +44 (0)1273 678349
tel (lab): +44 (0)1273 677512
