-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hi Bernhard,
A look at the methods section might give you a clue. Neither XDS nor XSCALE create mmCIF - files (you are talking about mmCIF, not CIF - subtle, but annoying difference), so that the choice is limited. I guess some programmer (rather than a scientist ;-) )used a simple printf commmand for a double precision number so the junk is left over from the memory region or other noise common to conversions. XDS actually prints error estimates for the cell dimensions in CORRECT.LP which could be added to the mmCIF file - a cif (sic!) file, I believe, requires those, by the way and checkCIF would complain about their absence. Cheers, Tim On 07/22/2014 01:01 PM, Bernhard Rupp wrote: > I am just morbidly curious what program(s) deliver/mutilate/divine > these cell constants in recent cif files: > > > > data_r4c69sf > > # > > _audit.revision_id 1_0 > > _audit.creation_date ? > > _audit.update_record 'Initial release' > > # > > _cell.entry_id 4c69 > > _cell.length_a 100.152000427 > > _cell.length_b 58.3689994812 > > _cell.length_c 66.5449981689 > > _cell.angle_alpha 90.0 > > _cell.angle_beta 99.2519989014 > > _cell.angle_gamma 90.0 > > # > > > > Maybe a little plausibility check during cif generation might be > ok > > > > Best, BR > > > > PS: btw, 10^-20 meters (10^5 time smaller than a proton) in fact > seriously challenges the Standard Model limits.. > > ---------------------------------------------------------------------------- > > - ------------ > > Bernhard Rupp > > k.-k. Hofkristallamt > > Crystallographiae Vindicis Militum Ordo > > b...@ruppweb.org > > b...@hofkristallamt.org > > http://www.ruppweb.org/ > > ----------------------------------------------------------------------- > > > > > > > - -- - -- 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 Icedove - http://www.enigmail.net/ iD8DBQFTzk52UxlJ7aRr7hoRAul8AKCHFz/DAoqR7s0fGUp79xx2QlrfCQCeIiiy KXSurhgaQjhguKr9L0/zyVk= =vqGC -----END PGP SIGNATURE-----
