HKL file Operations

What Olex2 can do with the hkl file

Prints detailed information about reflections used in the refinement.


h k l

Inserts >>OMIT h k l instruction in the ins file. Use >>delIns omit to remove all the OMITs from the INS file header.

>>omit val

Inserts OMIT h k l for all reflections with $|{F_{o}}^2 - {F_{c}}^2| > val$

omit s 2theta

Inserts >>OMIT s 2theta instruction in the ins file


[h k l]

Brings up a dialogue, where “bad” reflections from the Shelx lst file and all its constituent symmetry equivalents can be inspected and flagged to be excluded from the refinement. In contrast to the >>OMIT h k l instruction, which excludes the reflection and all it equivalents, this dialogue allows the exclusion of those equivalents that are actually outliers. If a particular reflection is specified, this particular reflection and all its constituent equivalents can be viewed.


[-h=h1;h2;.. -k=k1;k2.. -l=l1;l2.. [-c]

This function provides a mechanism to reversibly exclude some reflections from refinement (these reflections will be moved to the end of the .hkl file so they appear after the 0 0 0 reflection).

  • -c: option controls how the given indices are treated. If no -c option is provided, then any reflection having any of the given h, k or l indices will be excluded; otherwise only reflections with indices within provided h, k and l will be excluded.


-h=h1;h2;.. -k=k1;k2.. -l=l1;l2..

Acts in the opposite way to >>excludehkl.


[-h=h1;h2;.. -k=k1;k2.. -l=l1;l2.. [-c]

Shows the reflection currently used in the refinement (use CTRL+T a few times to centre on the reflection view).