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