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Dear Evette, You can still get this analysis with Scala even after scaling with scalepack. If you output the measurements unmerged (no merge original index) you can convert them to MTZ using pointless, then remerge the data as follows: scala hkiin from_pointless.mtz hklout merged.mtz << eof run 1 all scales constant sdcorrection noadjust norefine both 1 0 0 cycles 0 eof (pointless -c scain ... - you will also need to assign the cell and symmetry) This will just remerge the measurements and give you the usual merging analysis from Scala. Very useful. Same trick also works with data from XDS/XSCALE. Best wishes, Graeme On 1 November 2010 20:18, Radisky, Evette S., Ph.D. <[log in to unmask]> wrote: > > Dear all, > > I have previously used SCALA for data reduction, and in publications and pdb > depositions, reported the "Mn(I/sd)" output from SCALA for the whole data > set and for the highest resolution shell. > > We now have some data that has instead been reduced using the HKL suite, and > I am confused about how to find the value that would be equivalent to > Mn(I/sd) from SCALA. For I/Sigma(I) I've been advised by a colleague more > familiar with HKL to manually calculate from average I divided by average > error (sigma). As pointed out in a previous ccp4bb thread, this would give > me <I>/<Sigma(I)>, which is not the same as <I/Sigma(I)>. > > Two questions: > > (1) Is this <I>/<Sigma(I)> what is generally reported in the literature for > data processed with the HKL suite? > > (2) Since I would also like to know the Mn(I/sd) by shell anyway so that I > can compare to previous data sets, is there a way to extract this value from > the scalepack log, or is there a simple reflection file analysis utility > that could read the .sca or .mtz file to extract this information? > > Thanks for any clarifications or suggestions! > Evette > > Evette S. Radisky, Ph.D. > Assistant Professor > Mayo Clinic Cancer Center > Griffin Cancer Research Building, Rm 310 > 4500 San Pablo Road > Jacksonville, FL 32224 > (904) 953-6372