Print

Print


Dear Atul,

you mention the anomalous statistics in the log-file. Is this what bothers you?
There is nothing wrong with it, and you should check whether or not your final
data set has merged Friedel pairs or not. It probably has, and that's what you
want, isn't it?

Tim



On Thu, Sep 30, 2010 at 01:03:45PM +0530, atul kumar wrote:
> Dear all
> 
> I use scala 6.1
> 
> Even though I scale my native data, scala outputs anamolous data
> statistics in these columns:
> 
> Nmeas  Nref  Ncent  %poss C%poss Mlplct AnoCmp AnoFrc AnoMlt Rmeas
> Rmeas0  (Rsym)  Rpim  RpimO  PCV PCV0
> 
> I use "anamolous off" for scala and "anamolous no" for ctruncate. My
> command file is attached here.
> 
> 
>  Data line--- name project New crystal New dataset New
>  Data line--- resolution low 20.0 high 1.9
>  Data line--- exclude EMAX     10.0
>  Data line--- partials     check     test 0.95 1.05     nogap
>  Data line--- intensities PROFILE     PARTIALS
>  Data line--- final PARTIALS
>  Data line--- scales     rotation SPACING 5     secondary 6
> bfactor ON     BROTATION SPACING 20
>  Data line--- UNFIX V
>  Data line--- FIX A0
>  Data line--- UNFIX A1
>  Data line--- initial MEAN
>  Data line--- tie surface 0.001
>  Data line--- tie bfactor 0.3
>  Data line--- cycles 10 converge 0.3 reject 2
>  Data line--- anomalous off
>  Data line--- output AVERAGE
>  Data line--- print brief nooverlap
>  Data line--- RSIZE 80
> 
> 
> My input file has following columns
> 
> * Column Labels :
> 
>  H K L M/ISYM BATCH I SIGI IPR SIGIPR FRACTIONCALC XDET YDET ROT WIDTH
> LP MPART FLAG BGPKRATIOS
> 
> 
> Can someone please tell how to switch off anamolous processing of my data?
> 
> 
> regards
> 
> Atul Kumar

-- 
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

phone: +49 (0)551 39 22149

GPG Key ID = A46BEE1A