Re: [ccp4bb] Scale factor in ccp4

2007-03-22 Thread Eleanor Dodson
Yes - and actually Johan's suggestion is the best - one should not merge two sets of already merged data, better is to scale and merge all together in scalepack.. Eleanor George M. Sheldrick wrote: A less convoluted method is to read both .sca files into xprep, scale them together and write o

Re: [ccp4bb] Scale factor in ccp4

2007-03-22 Thread George M. Sheldrick
A less convoluted method is to read both .sca files into xprep, scale them together and write out the combined .sca file. George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-5

Re: [ccp4bb] Scale factor in ccp4

2007-03-22 Thread Johan Turkenburg
Hi, You can read both files back into scalepack and scale them. Better still, if you have the .x files from denzo, read both sets into scalepack. Scenarios both in the manual. Johan yang li wrote: Hi: I have two set of data from the same crystal with the names 1.sca and 2.sca, they hav

Re: [ccp4bb] Scale factor in ccp4

2007-03-22 Thread Eleanor Dodson
When youu run scalepack2mtz the GUI always follows this by TRUNCATE to convert Is to Fs At that stage there is an attempt to put the data on roughly an absolute scale, either using the NRES you gave as input or if that is not set, I think assuming 50% of the cell volume is protein. Anyway the

[ccp4bb] Scale factor in ccp4

2007-03-21 Thread yang li
Hi: I have two set of data from the same crystal with the names 1.sca and 2.sca, they have different Intensity values due to different scale factors. Now I use Scalepack2mtz convert them to 1.mtz and 2.mtz, then use cad to merge to a cad.mtz, then convert it to cad.sca file, I find that the Int