DIRDIF - REFLECTION FILE

MERBIN and the reflection data file BINFO

The DIRDIF program MERBIN reads the reflection data and writes a binary reflection data file BINFO. When during the crystal structure analysis you wish to alter the cell contents or the spacegroup, it is necessary in most cases to destroy the BINFO file. In the next DIRDIF run the program MERBIN will make a new BINFO file provided you have the correct CRYSDA file available. In WinGX, the reflection data is automatically read from the SHELX file name.HKL

Note about the SHELXL indices transformation:

With more numbers on the HKLF card, i.e.
HKLF N, S, R11, R12, R13, R21, R22, R23, R31, R31, R33,..
Sheldrick has defined the following transformation:
   h' = h * R11 + k * R12 + l * R13
   k' = h * R21 + k * R22 + l * R23
   l' = h * R31 + k * R32 + l * R33

This feature is available, but should be used with care !