-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Ian,
you are right, the table lists the correct resolution limits, although this is not what my question aimed at. Andrey's suggestion sftools (READ xxxx.mtz; SELECT ONLY COLUMN FP PRESENT; WRITE yyy.mtz) is the solution I was looking for with "FP" replaced by the correct column label in xxxx.mtz Thanks for all replies, Tim On 04/12/12 12:29, Ian Tickle wrote: > TIm, > >> As far as I can tell the ccp4 utilities for doing so extend the >> resolution from A to match the resolution of B which results in >> mtzdmp displaying the wrong resolution of the data which I find >> very annoying. > > I wasn't aware that mtzdump "displays the wrong resolution": I > thought I had fixed that problem years ago. Are you looking in the > right place in the output? The resolution values on the RESO > keyword in the header (use 'less' or a text editor on the MTZ file > to see it, the 'header' is actually right at the end of the file - > so it's really a 'trailer'!) refers to the resolution limits (d_max > and d_min) calculated from the hkl values in the file, regardless > of the contents of the data columns. That has always been the > case: mtzdump is only reporting what's in the file header/trailer. > Then the table printed out by mtzdump (see below for example) shows > the d_max & d_min for data in each column excluding NaNs (undefined > values). These could well be different from the d_max & d_min in > the header/trailer and indeed from each other. > > So in the example below the d_max & d_min for the hkl's is 64.829 > & 1.4, and the values for each individual column, some of which > are different from these, are shown in the table. > > Are you seeing something different from this, if so there's a bug > somewhere that we should fix? > > Cheers > > -- Ian > > * Resolution Range : > > 0.00024 0.51020 ( 64.829 - 1.400 A ) > > * Sort Order : > > 1 2 3 0 0 > > * Space group = 'P 21 21 21' (number 19) > > > > OVERALL FILE STATISTICS for resolution range 0.000 - 0.510 > ======================= > > > Col Sort Min Max Num % Mean Mean > Resolution Type Column num order Missing complete > abs. Low High label > > 1 ASC 0 39 0 100.00 14.8 14.8 64.83 1.40 > H H 2 NONE 0 44 0 100.00 16.5 16.5 64.83 > 1.40 H K 3 NONE 0 92 0 100.00 34.6 34.6 > 64.83 1.40 H L 4 NONE 0.0 19.0 0 100.00 9.51 > 9.51 64.83 1.40 I FreeR_flag 5 NONE 0.0 311.5 62138 > 31.18 48.84 48.84 19.96 2.00 F F 6 NONE 0.0 14.6 > 62138 31.18 2.11 2.11 19.96 2.00 Q SIGF > - -- - -- 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/ iD8DBQFPhsbgUxlJ7aRr7hoRAoiQAJ40iW5HQkMGb0V261CtftQdy5HmBgCgxiDX UNPKF9di9WgjiwkKah+N4ho= =JtG1 -----END PGP SIGNATURE-----
