HKL EDIT

• 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.