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Common Block OBSCAL

Specification

COMMON /OBSCAL/OBS,DOBS,GCALC,YCALC,DIFF,ICODE,SUMWD,NOBS,IWGH(1),
&WTC(4),WT,SQRTWT,WDIFF,YBACK,YPEAK,YMAX,CSQTOT
EQUIVALENCE (IWGHT,IWGH(1))

Description

Data for the observation currently being treated
OBS, DOBS observed value and its standard deviation
GCALC calculated value of observation
YCALC calculated value of slackly constrain-d distance
DIFF difference between OBS and GCALC
ICODE observation code
SUMWD sun of weighted differences
NOBS number of observations

Declared by

CALCDS to use GCALC
CALCFR to use GCALC YCALC
CALCFW to use GCALC
CALCGR to use GCALC YCALC
CALCMG to use GCALC YCALC
CALCMP to use GCALC
CALCSF to use GCALC
CALDSM to use GCALC
CALPOL to use GCALC
CELNEW to use SUMWD NOBS
CELSDP to use SUMWD NOBS
GEOMLS to use OBS YCALC DIFF WT SQRTWT WDIFF
INPLSF to use
MATSHF to use SUMWD NOBS CSQTOT
MATTOT to use DIFF SQRTWT
QLSQIN to use
RFACS to use OBS GCALC DIFF SUMWD NOBS WT CSQTOT
RREFSF to use OBS ICODE WT CSQTOT
STLSSF to use
WGHTLS to use OBS DIFF IWGH WT SQRTWT WDIFF
WGHTSF to use DIFF WT SQRTWT WDIFF
CHILSQ to use OBS GCALC YCALC DIFF NOBS WT
MAGLSQ to use OBS GCALC YCALC DIFF NOBS WT
MMPLSQ to use OBS GCALC YCALC DIFF NOBS WT
MPLSQ to use OBS GCALC DIFF NOBS WT
PALSQ to use OBS GCALC DIFF NOBS
SFLSQ to use OBS GCALC DIFF NOBS WT
SFTLSQ to use OBS GCALC DIFF NOBS WT
CALCTW to use GCALC

Symbolic parameters used

SORC set to 1 dimensioning IWGH
WGHT set to 4 dimensioning WTC

Common Block OLDSYM

Specification

COMMON /OLDSYM/OSYM(3,3,48),OTRANS(3,48),JNVERS(48),JNORD(48),
&MOLTAB(48,48),IOGEN(3),NOPONT(48),NOPO,NCENTO,NOPCO

Description

Copy of information in /NSYM/ and /SYMDA/ used when swapping between
magnetic and nuclear symmetries

Declared by

SUBSYM to use all members
SYMBAK to use OSYM OTRANS JNVERS JNORD MOLTAB IOGEN NOPO NCENTO NOPCO

Symbolic parameters used

SYMO set to 48 dimensioning OSYM OTRANS JNVERS JNORD MOLTAB MOLTAB NOPONT

Common Block OMITPR

Specification

COMMON /OMITPR/MIS,AMISS(3,100),KOM12

Description

Specifies regions to be omitted in profile refinement

Symbolic parameters used

OMIT set to 100 dimensioning AMISS

Common Block ORTSYM

Specification

COMMON /ORTSYM/SYMORT(3,3,24),NFLAG

Description

SYMORT symmetry operators on oorthogonal axes
NFLAG set when the above have been calculated

Declared by

ROTOSM to use all members

Common Block OVER

Specification

COMMON /OVER/ITFAC,OTFAC(10),KOTFAC(10),NTFAC,JTFAC,KOM15
EQUIVALENCE (TFAC,OTFAC(1)),(KTFAC,KOTFAC(1))

Description

ITFAC whic overall temperature factor is to be used
OTFAC overall temperature factors
KOTFAC which are being refined
NTFAC number of overall temperature factors

Declared by

CALCFR to use
CALCGR to use
CALCMG to use
CALCMP to use
CALCSF to use
CALPOL to use
LLTFAC to use NTFAC
PARSSF to use NTFAC
CALCTW to use

Symbolic parameters used

TFAC set to 10 dimensioning OTFAC KOTFAC


Contents Manual

P. Jane Brown e-mail: brown@ill.fr
Institut Laue Langevin,
Grenoble, FRANCE