On 2 Sep 2016, at 20:56, Bernhard Rupp (Hofkristallrat a.D.) <[log in to unmask]> wrote:
>> Or are you saying you’d like something like this put into the standard pipelines?
>
> Exactly - something like this would be a useful (default) option in the MR packages.
The issue with this as a default is devising a reliable way to identify and stop (what would become) long running searches for multiple copies of the wrong contaminant in a large asymmetric unit without missing novel crystal forms of a known contaminant.
Huw
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