SCALEPACK questions (2)

diane h peapus diane at kuchem.kyoto-u.ac.jp
Tue Oct 14 01:19:22 EST 1997


Greetings:

   I'm scaling data sets from multiple crystals using 
SCALEPACK and have a few questions that I can't find 
answers to in the manual.


***********************************************************
******************* QUESTION #1) **************************  
***********************************************************
   I keep getting multiple error messages on every cycle 
of postrefinement that say.....

___________________________________________________________
 Parameter#    14 cannot be fitted
 Parameter#    15 cannot be fitted
   (many more of the same deleted)
 Parameter#    95 cannot be fitted
___________________________________________________________

   Where the parameter# ranges from 14 to 95.  I
can't find anywhere that these parameters are defined
and I can't find any indication of the meaning of this
type or error.  Can anyone help me out?



***********************************************************
******************* QUESTION #2) **************************  
***********************************************************
   In the list of IP's and reflection counts, each record 
has a term that says 'no o' which could possibly be 'no 
origin'?  In DENZO I _didn't_ give the command 'use origin' 
so many 'no o' means 'no origin.'  Does anyone know if this
is true?  Is the 'no o' nothing I should worry about?  Or
is it an indication of error?
___________________________________________________________
                                          1    2    3    4    5    6    7    8 
 IP fitted, no o    10  0.8683   -0.98   38    0   31    4    0    0 3970 3640
 IP fitted, no o    11  0.8667   -0.53   48    0   36    3    0    0 3762 3582
___________________________________________________________



   thanks
   diane h peapus




More information about the Xtal-log mailing list