Re: [ccp4bb] Determining Rpim value

2012-09-05 Thread Edwin Pozharski
Michelle, On 09/04/2012 06:14 PM, Michelle Deaton wrote: Is there a straightforward way to obtain this value from my data? From what I understand, most of my options involve going back and obtaining unmerged intensities. I am hoping there may be a way for me to avoid having to backtrack that

Re: [ccp4bb] Determining Rpim value

2012-09-05 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Michelle, unless any of the HKL2000 log files list Rpim, ALL your options involve going back to obtaining umerged intensities. If you still have the x-files available, the easiest from my point of view is to use x2sad followed by sadabs and xprep

Re: [ccp4bb] Determining Rpim value

2012-09-04 Thread Phil Jeffrey
If the alternative to reprocessing your data with XDS, iMosflm, Xia2, autoProc etc is unpalatable, might I suggest the nearly-as-unpalatable method as follows: If you can still run Scalepack on all your .x files, put the line NO MERGE ORIGINAL INDEX in the scalepack script file. Get the .sca o

[ccp4bb] Determining Rpim value

2012-09-04 Thread Michelle Deaton
I am trying to obtain an Rpim (precision indicating merging Rfactor) value for a dataset that I have already processed with HKL2000/Scalepack and refined. Is there a straightforward way to obtain this value from my data? From what I understand, most of my options involve going back and obtaining