DATA Menu HKL EDIT
HKL EDIT
These programs allow the user to manipulate the HKL file.
- SORT MERGE is a program which sorts and merges the reflection
file name.HKL, using the appropriate point group as obtained from the name.INS
file. UNDER NORMAL CIRCUMSTANCES, i.e. USING SHELXL FOR REFINEMENT
THIS MERGING SHOULD NOT BE CARRIED OUT. The user may also select to print
out a detailed listing of the reflections merged under a specific Laue
symmetry.
- APPLY LIMITS allows the user to apply cut-offs in terms of I/sigma(I)
sin(theta)/lambda, and omit weak reflections. Again for SHELXL users these limits
should NOT normally be applied.
- REMOVE DCOS is a utility which removes any direction cosine information
from a selected HKL file. This is intended for archival purposes, to reduce the
size of the reflection file. It is only sensible to do this when the structure
analysis is complete.
- Open HKL FILE is a utility to view (and possibly) manually edit the
reflection file. Remember that the HKL file is a formatted file and unwarranted
editing may make it unreadable.