Re: [ccp4bb] How to summarize the data statistics (particularly looking for the average Fo_sigma/Fo for each resolution shell)
On Thu, Jul 15, 2010 at 01:02:30AM -0400, Hailiang Zhang wrote: Hi all: Does CCP4 or Phenix provide any utilities which can summarize the data statistics (particularly looking for the average Fo_sigma/Fo for each resolution shell)? Truncate seems to be able to do that but didn't get the desired answer. Any short script will be greatly appreciated! cynical mode If truncate does what you want but does not provide the desired answer it might be your data's fault, not the fault of truncate. /cynical mode Maybe you could explain what exactly you are looking for since you seem to indicate that truncate already does that. If you have access to xprep you can use xprep to get F and F/sigF per resolution shell, even with the shells you want. You can convert the mtz-file to hkl-format with mtz2hkl. Considering that pointless is now the ccp4-equivalent to determine the space group (rather than xprep), pointless might also produce the statistics you are looking for. Cheers, Tim Best Regards, Hailiang -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A signature.asc Description: Digital signature
Re: [ccp4bb] How to summarize the data statistics (particularly looking for the average Fo_sigma/Fo for each resolution shell)
Pointless is used before scaling, and this question is asked after scaling, ie it belongs in Scala or [c]truncate in the CCP4 context (at present anyway) Phil On 15 Jul 2010, at 07:29, Tim Gruene wrote: On Thu, Jul 15, 2010 at 01:02:30AM -0400, Hailiang Zhang wrote: Hi all: Does CCP4 or Phenix provide any utilities which can summarize the data statistics (particularly looking for the average Fo_sigma/Fo for each resolution shell)? Truncate seems to be able to do that but didn't get the desired answer. Any short script will be greatly appreciated! cynical mode If truncate does what you want but does not provide the desired answer it might be your data's fault, not the fault of truncate. /cynical mode Maybe you could explain what exactly you are looking for since you seem to indicate that truncate already does that. If you have access to xprep you can use xprep to get F and F/sigF per resolution shell, even with the shells you want. You can convert the mtz-file to hkl-format with mtz2hkl. Considering that pointless is now the ccp4-equivalent to determine the space group (rather than xprep), pointless might also produce the statistics you are looking for. Cheers, Tim Best Regards, Hailiang -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
[ccp4bb] How to summarize the data statistics (particularly looking for the average Fo_sigma/Fo for each resolution shell)
Hi all: Does CCP4 or Phenix provide any utilities which can summarize the data statistics (particularly looking for the average Fo_sigma/Fo for each resolution shell)? Truncate seems to be able to do that but didn't get the desired answer. Any short script will be greatly appreciated! Best Regards, Hailiang
