CVS log for ccp4/src/scaleit.f
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Baubles changes from EJD

Patch from ClAuS, more order of execution stuff by the looks of things, exam
runs ok with the patch applied.

Patch from Claus fixing intel rounding error bug when calculating sqrt. Bugzilla #2941

EJD: I have extended the SCALEIT program to give better output messages.
In fact Jan - it is formally correct, given the SCALING definitions in
the document, to list B11 as -40 , ie  4*Bisotropic scale.
However I have now added a line to clarify things:
This is equivalent to an isotropic B factor of B11/4.

EJD: I have extended the SCALEIT program to give better output messages.
In fact Jan - it is formally correct, given the SCALING definitions in
the document, to list B11 as -40 , ie  4*Bisotropic scale.
However I have now added a line to clarify things:
This is equivalent to an isotropic B factor of B11/4.

new version of XML-ised prog from Steven 13/09/2005

Changes for XML out from Steven Ness

update licence banners

increased dimension requested by Steven

Use I6 in format statement printing number of reflections, to avoid
overflow for large numbers of observations (bug #1069).

add new licence banners

changes from Clemens

In s/r RCARDS: declared IMPLICIT NONE and explicitly declared some
variables (ISET,VOL,RVOL and RR).

Declare previously undeclared variables in s/r RCARDS.

Updated version from EJD:
I have incorporated more anisotropic notes, and picked up the corret
datcell ( I hope!)
Also increased MAXINX to 1000 - someone here has a 600A axis..

increase MAXINX to 500

include crystal name in diagnostics

couple of generalisations w.r.t. column ordering

CV - removal of some save, mcols - 500, and a couple of format changes

CV - removal of some save, mcols - 500, and a couple of format changes

trailing spaces

decs not happy with unassigned numbers - ejd

NLPRGI increased to 285 to allow 20 deriv datasets.

NLPRGI increased to 187 from 85 to allow more than 6 sets

REFINE ANISO is now the default (in line with the documentation).

x -> 1x for linux

format correction

Added AUTO keyword: selects all "scaleable" columns in each chosen dataset
and applies scale factor automatically.

format comma

log output html-ised

EJD: shortened some loggraph table titles.

Can now also scale F(+) and F(-) and intensities, if specified.
Detects dataset info in input file and warns if datasets are not being
scaled consistently.

values printed with refine anisotropic /16 what they should be ejd checked!
baisically last fix wrong way!

values printed with refine anisotropic x4 what they should be ejd checked!

Standardise resolution label for loggraph use.

MDW: added comment for WEIGht k/word, to clarify assigned GO TO
EJD: fixed an earlier "fix".

EJD: SCAT keyword to include scatter plots in log files.

Changes from EJD: alterations to some output for graphical user interface.

Change from York: format changed for Liz.

Tidying xloggraph output

LMB (Andrew): Increase parameter MAXINX from 200 to 400

Missing format commas

Small bug fix form EJD

corrected an error in previous correction - sorry!

EJD: check for SMIN DMIn =0.0

EJD: couldnt read whole line of LABI - increase NKEYWD

Full checks on ANALYSE REFINE and SCALE cards. Changed so that scales specified
with SCALE are not refined, as per doc..

Returned output stats. when using ANALYSE. Some minor mods.

EJD: normal probability analysis now seperates centrics and acentrics.
IJT: Now outputs Kraut scale instead of reciprocal.

Interesting stats. on large isomorphous differences now shown with ANALYSE
option.

Minor mods. MATMUL removed.

Some changes mainly for missing number purposes.

EJD: Error in scaleit if more than 9 derivatives input
LOGMSS added too.

192 symops after EJD.
Bogosity in SCAPLY (mine?) causing duff results.

Avoid NaN lossage

missing data checks

PRE: correct xloggraph headers.

PRE: bigger parser buffer

It is clearer when sigma is not assigned.

fix ccprcs arg

default to no wieghting

avoid MATMUL as possible intrinsic

EJD: increase parser buffer length

Correct length of PG name string

Add/change history info writing for a bunch of programs.  Mostly call the
new LWHSTL.  Several previously called incorrectly LWHIST with scalar
instead of character array.

limit continuation lines

cosmetic

From Doug Ohlendorf <OHLEN@dccc.med.umn.edu> via EJD to handle 20 derivatives.

version pulled straight from york

.

EJD xloggraph fix

.

xloggraph stuff fix

EJD: add reference

cosmetics from peter brick

get DP alignment right in /input/

LMB: trap zero reflections

block data hint to linker

un-noted changes from york

EJD: correct array dimension -- may be serious

change ccpvrs to ccprcs

current version from york since DL one was somehow out-of-step with
it.  fixed it to get through istla.

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