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: antony.oli...@sussex.ac.uk > tel (office): +44 (0)1273 678349 > tel (lab): +44 (0)1273 677512 >
