[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [ccp4bb]: scaleit



***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***


scaleit is trying to run the AUTO procedure to
ensure consistent scaling. This is based on how
columns are assigned to datasets. It looks as
if you have too many columns assigned to "Dataset 2"
(it would be easier to work out if you sent
details of your command input, and input MTZ file).

If you do not have your datasets sorted out properly,
then look in the "Edit MTZ Project & Dataset Names"
task in the "Reflection Data Utilities" module.

The idea is to stop you scaling F/D while leaving F+/F- unchanged,
for example, but it only works if the datasets are set up properly.
You can switch off AUTO, in which case it'll only
give you a telling off....

Cheers
Martyn


> 
> ***  For details on how to be removed from this list visit the  ***
> ***          CCP4 home page http://www.ccp4.ac.uk         ***
> 
> Hi, 
> could someone tell what I am doing wrong in scaleit?:
> 
> AUTOMATIC COLUMN SELECTION
>  ==========================
> 
>  Dataset  2 is
> thio24hg                                                        
>  and is assigned to be derivative  1
> 
>    The following columns were defined by LABIN:
>        F_thio24hg          
>        SIGF_thio24hg       
> 
>    The following additional columns will have the same
>    scale factor applied automatically:
>        Column SIGF_Jnative(-)       (type L)
>           Ok - assigned to label SIGFPH1(+)                    
> 
>        Column IMEAN_Jnative         (type J)
>           Ok - assigned to label IMEAN1                        
> 
>        Column SIGIMEAN_Jnative      (type Q)
>        The last assigned column was type J
>        Guessing that this is the sigma of the 
>        average intensity Imean
>        It will be multiplied by the calculated scale factor squared
>           Assigned to label SIGIMEAN1                     
> 
>   ** SIGIMEAN has been assigned to column SIGIMEAN_Jnative 
>   So it will be multiplied by the SQUARE of
>   the scale factor - check that this is correct.
> 
>        Column I_Jnative(+)          (type K)
>           Ok - assigned to label I1(+)                         
> 
>        Column SIGI_Jnative(+)       (type M)
>           Ok - assigned to label SIGI1(+)                      
> 
>        Column I_Jnative(-)          (type K)
>           Ok - assigned to label I1(-)                         
> 
>        Column SIGI_Jnative(-)       (type M)
>           Ok - assigned to label SIGI1(-)                      
> 
>        Column  SCALEIT:  Error in AUTOmatic column selection
> 
> --------------------------------------------------------------
> I just want to compare F_Mnative and F_thio24hg and not use *_Jnative at
> the moment.
> Jan
> 


-- 


**************************************************************************
*                                                                        *
*                  Dr. Martyn Winn                                       *
*                                                                        *
*      Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, ENGLAND     *
*      Tel: +44 1925 603455    E-mail: m.d.winn@ccp4.ac.uk (personal)    *
*      Fax: +44 1925 603825    E-mail: ccp4@ccp4.ac.uk  (CCP4 problems)  * 
*          URL: http://www.ccp4.ac.uk/martyn/martyn.html                 *
**************************************************************************