<div dir="ltr">Dear Pavel, thank you very much for this.<div>Yes, that is indeed the case; mostly for educational purposes, myself along with some undergraduate students are trying to perform a couple of non-usual streamlined analyses on .mtz files, such as calculating Unitary SF or validating r_values upon symmetry expansion.</div><div>However, I have zero programming skills in python or any other languages, hence this request.</div><div>Therefore, it would be extremely helpful and appreciated if you could write such a code for us. There is no need for the code to write any output file, just calculate r_work and r_free from Fobs and Fcalc from an input .mtz.<br><div>We thank you again for your attention and time.</div><div>Best wishes,</div><div>Andre.</div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Em seg, 1 de jul de 2019 às 15:15, Pavel Afonine <<a href="mailto:pafonine@lbl.gov">pafonine@lbl.gov</a>> escreveu:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi Andre,<br>
<br>
> Can Phenix calculate r_work and r_free from a .mtz file containing FP <br>
> and FC_ALL (from PDB_REDO), without inputing the matching .pdb file?<br>
<br>
if it is still actual... No, there is no user-available tool to do this <br>
in Phenix, AFAIK. Simply because it isn't clear what it is useful for <br>
unless you are doing some custom experimenting (and if that's the case <br>
you probably can do it yourself anyway!).<br>
I can write a few lines of cctbx based script to do this. Literally, <br>
this is under 10 lines of trivial python code. Let me know!<br>
<br>
Pavel<br>
<br>
<br>
</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr">Andre LB Ambrosio<br></div></div>