CVS log for ccp4/src/mtzdump.f
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Added CCP4_PROG_VERSION, see #4689

merge to branch-30_07_11

[#4551] and [#4555]. Increased MAXBAT and similar parameters in various places, plus KPRI in /home/fcx32934/ccp4_test/ccp4/lib/src/ccplib.f. Removed parameter_bigdet.fh and temp.fh from /home/fcx32934/ccp4_test/ccp4/src/scala_

Added Claus Flensburg patch to fix various problems associated with precision of resolution limits (Bugzilla #2925)

Minor modification to error message: file not found is not the only reason
that LROPEN can fail.

update licence banners

For batch files, no longer assume that M/ISYM will be column 4 and BATCH
will be column 5 - search for them (bug #1053).

add new licence banners

SYMM option prints centric zones as well

close mtzin

CV - removal of global save

CV - removeal of global save

Increased parameter MCOLS to 500.

raising nbatch to 5000

Uses -999 in "Resolution" column to indicate all resolutions are MNFs.

Fix to values reported in "Resolution" column (Clemens Vonrhein).

EJD: I want Epsln classes (MDW: with SYMM keyword)

New HEADER keyword.

Overall and partial stats.: nicer output if 0% completeness.

ranges calculated explicitly for overall and partial stats
(N.B. RANGES from LRINFO invalid if restricted resolution
range used for stats).

FORMAT keyword added. Missing reflections flagged with ?. Reso limits applied
to overall stats.

Increased the precision of the mean columns.
Required for uniqueify to estimate the free-R fraction properly.

Removed VALM keyword. Reflection list output changed, missing relfection
indicated by "MNF".

VALM keyword made public.
valml=-999 default for VMS systems.
General tidying.

Output stats rationalised. Breakdown wrt resolution,
governed by STAT keyword. Completeness output.

Now that missing data identified solely through NaNs, there
is no difference between the two averages calculated (except
in the denominator used). So I've removed one of them.
Also some general tidying.

EJD:  Added the option to mtzdump to list 4sin**/L**2 again.

The default value for missing data when printed is now a huge number
which will overflow the format field and get it filled with asterisks
so it isn't confused with real data.  Should be fixed to yield a
distinct token (possibly `NaN') for missing data, as Unix boxes would
normally do with FPEs turned off, to avoid confusion with real data
overflowing the fields (not unknown).

EJD: missing data handling

unused vars

IJT: Ensure zero values of type H, P or A are included in the resolution
statistics.

cosmetics

leading blank in format

version pulled straight from york

avoid compiler warnings about dead code (peter brick)

IJT: It prints 2 extra columns of stats, the resolution range excl zeros.

PRE changes for max. batches

remove tab

EJD: It helps if the format of the mtzdump is written to the output file.

kim/sandra (?):
now is modified dumpreso.for

with keywords

just typing
    mtzdmp file_name
gives default dumps
if using mtzdump in csh script
see doc

removed apparent debugging line (sandra)

change ccpvrs to ccprcs

portability

from EMBLHH: Now only prints the header once (this was mentioned at
the last ccp4 meeting at Birkbeck).

prior to proper attempt at version control

Roughly correposnds to first `official' release of MTZ version for un*x
and VMS around 14--15/5/92.

Initial revision