that should have been
sort -gk5 XDS_ASCII.HKL | more
(I should have tested before posting!)
best,
Kay
On Tue, 25 Jun 2013 09:16:52 +0100, Kay Diederichs <[log in to unmask]> wrote:
...
>b) inspect the outliers in XDS_ASCII.HKL with something like
>sort -nk5 XDS_ASCII.HKL | more
>looking for observations which have negative sigma (i.e. are outliers) _and_ have high intensity _and_ have |h| >> |k| _and_ |h| >>|l| . If you find any, I would simply remove the negative sign with an editor, save the modified XDS_ASCII.HKL and re-run XDSCONV, finally obtaining a MTZ file that includes this reflection.
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