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Thanks Eleanor - guess I should have plumbed the depths of the CAD manual a little further. Works perfectly. Antony. --- 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: [log in to unmask] tel (office): +44 (0)1273 678349 tel (lab): +44 (0)1273 677512 On Nov 5, 2012, at 11:24 AM, Eleanor Dodson wrote: > Just give CAD the resolution cut off of the new data set.. > Eleanor > From the CAD documentation.. > RESOLUTION [ RESOLUTION OVERALL <dmin> <dmax> ] | [RESOLUTION FILE_NUMBER <i> <dmin> <dmax> ] > > Use either: > > RESOLUTION OVERALL <dmin> <dmax> > for overall resolution limits, or: > RESOLUTION FILE_NUMBER <i> <dmin> <dmax> > to set input limit for FILE_NUMBER <i>. > <dmax>, <dmin> are the resolution limits for the data to be included, i.e. data are included for which > (1/<dmax>)**2 >= 4 sin**2theta/lambda**2 >=(1/<dmin>)**2 > NOTE: Defaults are 0.1 and 1000.0 Angstrom. > > > On 5 Nov 2012, at 09:53, Antony Oliver wrote: > >> 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: [log in to unmask] >> tel (office): +44 (0)1273 678349 >> tel (lab): +44 (0)1273 677512 >> >