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-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Yarrow, the data in the phs-file are not the original data, they are density modified, which includes the amplitudes. If you convert them to mtz, you should really know what you are doing - you might end up depositing a PDB file refined against modified data sets. Best, Tim On 11/16/2013 11:16 AM, Eleanor Dodson wrote: > It is easy enough if you still ant to do it. > > I would feed both into f2mtz separately to make a mysadIplus.mtz > and a mysadImin.mtz then use CAD to combine and change the default > labels to something like I(+) SIGI(+) and I(-) SIGI(-) > > But as George says Why do you want it? That will change the way you > proceed. > > Eleanor On 14 Nov 2013, at 21:08, George Sheldrick wrote: > >> I'm not sure why you want to do that. If you wish to look at a >> map or poly-Ala trace from SHELXE, just read the .pdb and then >> .phs files into Coot directly. If you want to use them to make >> pictures with PYMOL, use Tim Gruene's SHELX2map. For further >> information please go to the SHELX homepage (Google knows where >> it is). >> >> George >> >> On 11/14/2013 10:09 PM, Yarrow Madrona wrote: >>> I'm sorry, >>> >>> I have not used shelx before and didn't realize in my last post >>> that the anamolous data is kept separate. I am planning on >>> converting both the mysad.phs and mysad.pha to mtz files and >>> then merge them. However, I am not sure of the column lables in >>> mysad.pha. Does anyone know how to get this info? >>> >>> -Yarrow >>> >> >> >> -- Prof. George M. Sheldrick FRS Dept. Structural Chemistry, >> University of Goettingen, Tammannstr. 4, D37077 Goettingen, >> Germany Tel. +49-551-39-33021 or -33068 Fax. +49-551-39-22582 > - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.15 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFSiSXeUxlJ7aRr7hoRAs3BAJ4qX4aQNx3FEMVZJQnT47dus4C08ACdHB9C XZf6c/Ljr7bKlmbtwyT4sZQ= =r68S -----END PGP SIGNATURE-----