Hi Tim, Thanks, this seems like a good plan. As I don't get to do much refinement I have never really spent much time worrying about FWT, FOM etc. I should read Randy's papers more I guess.
Best wishes, Graeme BTW - does everyone have to confirm every message to the mailing list? -----Original Message----- From: Mailing list for users of COOT Crystallographic Software [mailto:[email protected]] On Behalf Of Tim Gruene Sent: 24 May 2012 10:31 To: [email protected] Subject: Re: --auto column labels -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hi Graeme, So far I never noticed any difference between using or not using FOM into account from a phs-file, so if you only want to display the resulting map from shelxe DM I would not bother about whether this is mathematically correct. I DON'T think FWT=F*FOM: as far as I understand FWT are the sigmaA weighted amplitudes and I don't think shelxe calculates sigmaA weighted coefficients. Regards, Tim On 05/24/12 10:47, [email protected] wrote: > Hi Tim, > > A good answer, but I thought FWT = F * FOM? So this would not include > the FOM's for the reflections? If I have this wrong that would be > great. > > Thanks, > > Graeme > > -----Original Message----- From: Tim Gruene > [mailto:[email protected]] Sent: 24 May 2012 09:46 To: > Winter, Graeme (DLSLtd,RAL,DIA) Cc: [email protected] Subject: > Re: --auto column labels > > Hi Graeme, why don't you name the column types FWT and PHWT as you > convert the phs-file to mtz? > > You can also read in the phs-file directly given a cell, although I am > not aware of an automated way. > > Cheers, Tim > > On 05/24/12 10:27, [email protected] wrote: >> Hi Folks, > >> I would like to load a phased mtz file from shelxe / convert2mtz >> automatically in coot: > >> (from mtzdmp) > >> * Column Labels : > >> H K L F FOM PHI SIGF FreeF_flag > >> * Column Types : > >> H H H F W P Q I > >> * Associated datasets : > >> 0 0 0 0 0 0 0 0 > >> I see from the manual I need: > >> --auto filename for auto-reading mtz files (mtz file has the default >> labels FWT, PHWT) > >> Is there an easy way to join these up? I just want to be able to >> inspect the map. I use this already to automatically show results >> from refmac, which works very nicely indeed. > >> Many thanks, > >> Graeme > > > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFPvf/oUxlJ7aRr7hoRAnNbAKDbFMAUwqUGoijyV1JdjrS1xQDB/ACggTZ8 UV1zCe/IdRwpeaeFhSydtxU= =RyGN -----END PGP SIGNATURE-----
