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Update to transfer MTZ symmetry confidence flag from MASTER to
output, see #4188

Update to transfer MTZ symmetry confidence flag from MASTER to
output, see #4188

merge in 6.1.1 to 6.1.2 changes from the series-6_1 branch

Claus Flensburg's patch for more than 99 labels (Bug 3832)

Fix to scale file number problem from EJD (Bugzilla #3558)

Fix to scale file number problem from EJD (Bugzilla #3558)

Correcting Inactive SCALE keyword

initialise some arrays (Valgrind)

initialise some arrays (Valgrind)

Changed VRSET_MAGIC to a lower value (Bugzilla #2473)

Remove diagnostic left in previous version.

Remove diagnostic left in previous version.

Third argument of LRHIST should be set to max number of history lines allowed.
Also MTZPRT should default to 0 rather than 1.

Third argument of LRHIST should be set to max number of history lines allowed.
Also MTZPRT should default to 0 rather than 1.

Make sure ISETS is within range - it is used for indexing arrays.
In particular, exclude 0 = base dataset.

update licence banners

zero the 4th and 5th elements of the sort order passed to LWSORT
these were passed directly from the input file, and so unreliable

revert part of previous change
EJD convinces me that iso and aniso scaling should be
inconsistent, so that aniso consistent with refmac

scale option was broken, with incorrect comparison against
null values of TEMP_ALL and TEMP_ANIS
also anisotropic scaling was inconsistent with iso scaling
by factor of 0.25

trap for crystals from different input files which have same
name but different cell dimensions

add new licence banners

EJD: scale keyword now allows user to apply scale and anisotropic B value
(previously only isotropic B values were possible).

Added trap to stop inputting multi-record file

CELL keyword now obsoleted. Use DCELL.

Needed to add option to omit FILE_NUMBER for LABOUT for Arp (see also
previous change).

Added feature that if LABIN line doesn't have a FILE subkeyword then the
file number is automatically assigned to file 1. Needed for backwards
compatibility with ARP/wARP 6.0.

use new sym routines for OUTLIM SPACE option

DPNAME, DCELL and DWAVE <setid> now applied after renaming so
that you can set these for new datasets

FCPART PHIPART (CTYPIN U and V) generates new columns - assign
XNAME/DNAME for these

handle crystal names
new keywords: XNAME and DPNAME

comment out binsort-specific fiddle

CV- change maxcols to mcols and set them to 500

CV- Change a load of maxcols to mcols and reset them to 500

New keyword DRENAME

Change so CTYP keyword doesn't wipe defaults unless column explicitly set.
Clarify error message.

changes from pre done by ccb - problems with name strings to short?
windows chagne done my awa - seems to work! wonte affect anything else!

Clemens Vonrhein: NHISOUT was unintialised in some configurations.

Changes to DCELL and DWAVE keywords to identify datasets by pname/dname

Now can change PNAME or DNAME for column independently.

MDW: stuff for dataset wavelength, and DWAVE keyword

EJD: applies temperature factor as part of scaling, temperature factor
supplied via the SCALE keyword.

Changes for new DCELL MTZ header info
New keyword DCELL

Wouldn't change column types from Q to L; now fixed (EJD).

New subkeyword HKL for PNAME/DNAME

MDW: Column matching using datasets wasn't working properly.
Hope I've fixed it ....

More general forms for PNAME,DNAME keywords.
Lengths of project/datasets names increased to 64

EJD: swap F+/F- etc. columns when changing hand of indices

Changes to copy/change MTZ header info on datasets.
New keywords PNAME/DNAME

Fixed problem of format being too small for many columns input (EJD).

Initialising bdata array

Changes form EJD (incresing MAXCOLS)

awa: Check to ensure LABIN E1 to EX has no gaps.
acr: change ccperr 0 message

EJD:  Change CAD to handle HLA HLB etc..

Made no. of mtz columns consistent with the max. no. of tokens for parser.
Used in deciphering LABIN and LABOUT. Fixes EJD problem of long LABIN lines.

altering reset_magic and sorting part.

Apply scaling to proper columns NOT to all columns.

Small change to printer output at end of CADKEY.

Copied from York (with minor changes).
192 symops + missing data stuff.

Avoid strings broken across lines; unused vars.

Back off missing data stuff since other things can't cope with the
NaNs in the o/p file.

avoid FPE with equality check on NaN

EJD undocumented missig data stuff

Minor errors.

EJD: (re-?)instate LABIN FILE <i> ALL.

EJD: longer LABIN/OUT lines

Error in last change. LABIN, LABOUT and CTYPIN now have error traps for
correctness of second sub-keyword 'FILE'.

Program terminates on error to LABIN.

test for parser EOF was wrong

tidying

see MTZLIB

RESOLUTION OVERALL wasn't obeyed

don't mention lcf

EJD: got lattice type wrong.. aesthetic correction

version pulled straight from york

.

default resolution to agree with doc (EJD)

fairly major re-write by EJD

EJD: no longer HAVE to have CTYP lines.

copyright

replace ccprcs

EJD: allow more data to be input

Eleanor had changed the code to speed up the sorting,
but unfortunately the VAX sort didn't like it, and crashes - just made the VAX
an exception (smm) -

remove implicit none, !; add save

change ccpvrs to ccprcs

EJD: Massive cad job has required changing all LINE*600 to LINE*800
in cad  and PARSER.  Also MAXSAVE from 100 to 150!!

alteration from EJD to handle lots of 4 0 0 reflections in P212121

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