Hi
One small issue with Aaron’s answer - the alert specifically says “Not (SHELXL)
Weight”, so I suspect that you may not be using SHELXL for your refinement, in
which case the “OMIT” instructions may not be available or may take a slightly
different form.
There’s an open-access IUCr paper wri
Hi Soheil,
This usually means there are outliers in the reflection list that are affecting
the weight parameter S that SHELXL uses. Use the OMIT instruction in your
SHELXL .ins file to remove those ten disagreeable reflections, e.g.
OMIT -1 -1 1
OMIT 1 0 1
etc.
In addition, this tends to inclu
Hi Soheil,
This usually means there are outliers in the reflection list that are affecting
the weight parameter S that SHELXL uses. Use the OMIT instruction in your
SHELXL .ins file to remove those ten disagreeable reflections, e.g.
OMIT -1 -1 1
OMIT 1 0 1
etc.
In addition, this tends to inclu
Hi Everyone,
I am preparing a cif file from an inorganic compound measured with
X-ray, I get an unexpected error during chechCIF evaluation as below,
Alert level A,PLAT939_ALERT_3_A Large Value of Not (SHELXL) Weight
Optimized S . 1029.36 Check
I check the disagreeable reflection and the
