[phenixbb] AutoSol invalid MTZ column_types error

Terwilliger, Thomas Charles terwilliger at lanl.gov
Thu Jun 8 02:15:01 PDT 2017

Hi Mintu,

I'm sorry about this problem!  I should have fixed it already but missed this message from Phil Evans that he posted in January: "Columns N(+) and N(-), both of type I, are recent additions to the output file from Aimless. They are the number of observations merged into I(+) and I(-) respectively"

AutoSol doesn't know about these columns and can accidentally guess that they are data.  To get around this column, use a command like this to create a data file that does not contain the N(+) and N(-) columns:

  phenix.reflection_file_converter aimless.mtz --mtz=aimless_noN.mtz --label="I(+"

?where the --label=xxxx command specifies the first few characters of the columns you want to use as I+/I- data.  Then use aimless_nonN.mtz instead of aimless.mtz as input to autosol.

I will fix this in autosol.

Let me know if that does not do it!

All the best,
Tom T

Dear all,

I am getting an error message "Invalid MTZ column_types for the given
miller_array." while I try to run AutoSol. The last line in the log is
"Adding array ['N(+)', 'N(-)'] to output file with type II".
Do you have any suggestion how to fix this error?

Thanks a lot in advance. Best,


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