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<p>Hi Vincent,</p>
<p>I don't think Reflection File Editor can do that but I just wrote
a cctbx based script to do that. Save lines below (between ****)
into a file convert.py:</p>
<p>****</p>
<p>from iotbx import mtz<br>
from iotbx import reflection_file_reader<br>
<br>
def run(file_name = "1yjp_refine_001.mtz"):<br>
miller_arrays =
reflection_file_reader.any_reflection_file(file_name =<br>
file_name).as_miller_arrays()<br>
mtz_dataset = None<br>
for ma in miller_arrays[1:]:<br>
label = ma.info().label_string()<br>
if "," in label: label = label[:label.index(",")]<br>
if mtz_dataset is None: <br>
mtz_dataset = ma.as_mtz_dataset(column_root_label = label)<br>
else:<br>
mtz_dataset.add_miller_array(ma, column_root_label = label)<br>
mtz_dataset.mtz_object().write("output.mtz")<br>
<br>
if __name__ == '__main__':<br>
run()<br>
</p>
<p>****</p>
<p>then put the correct file name instead of 1yjp_refine_001.mtz and
run</p>
<p>phenix.python convert.py</p>
<p>The output output.mtz file will have all the arrays in one data
block.</p>
<p>Good luck!<br>
Pavel<br>
<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 9/28/23 07:36, vincent Chaptal
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:9a1eaa17-55da-c8f6-4c2b-fb63faf9034d@ibcp.fr">
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<font size="4"><font face="monospace">Hi, <br>
<br>
I have a reflection file generated by phenix.refine, which
contains HKL, I, Rfree, SIGI, Fs..., Fmodel... and map
coeffs. All these arrays are placed in several dataset#. <br>
I would like to place them all in a single Dataset#. Is it
possible to do that using the reflection file editor? I've
tried to modify the output with "edit arrays" but I can't
figure out how to do that? <br>
<br>
Thank you.<br>
Best<br>
Vincent<br>
<br>
</font></font>
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<p class="p1"><span class="s1">Vincent Chaptal, PhD</span></p>
<p class="p1"><span class="s1">Director of GdR APPICOM</span></p>
<p class="p1"><span class="s1">Drug Resistance and Membrane
Proteins Lab</span></p>
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