[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
*** unsubscribe by sending the message "unsubscribe ccp4bb" to ***
*** firstname.lastname@example.org or Majordomo@dl.ac.uk ***
looking for water positions with ARP I encountered an error generated
SFALL: ** Your hkl data must be resorted with l>= 0 to fit this
spacegroup - See documentation***
The data are R3, reduced/processed with MOSFLM/CCP4 programs. The
dataset contains indices with h>=0, k>=0, l=all l, with _no_ 00l<0
The limits of hkl are reported in the SFALL documentation as:
P3/R3 h k l : h >= 0, k > 0, 0 0 l : l > 0
O.k., I tried CAD out of curiosness to generate a dataset a bit more
consistent to SFALL (no, same error).
Also, UNIQUE gives a dummy dataset with h>=0, k>=0 and l=all l and
Now I am somewhat confused, what's the proper asymmetric unit for R3 in
I worked around it by using P1 (thanks to our generous RAM armament) but
I doubt if it's that elegant...