Hello, since I am new here it seems an odd proposal, but could you not remove iotbx.shelx.from_ins.from_ins since its functionality is covered much better by xray.structure.from_shelx (at least it seems to me). The following is roughly identical with the first statement being inaccurate (anisotropic vs isotropic displacements parameters) and wrong (structures containing disorder) xs0 = iotbx.shelx.from_ins.from_ins(file_name='foo.ins') fc0 = xs0.structure_factors(d_min=0.7, algorithm='direct').f_calc() xs1 = cctbx.xray.structure.from_shelx(file=open('foo.ins')) fc1 = xs1.structure_factors(d_min=0.7, algorithm='direct').f_calc() As someone who (seldom) uses cctbx I stumbled first over iotbx.shelx.from_ins and only noticed after a while that it does not handle disorder properly (problem is in ins_record.if_10_added). from_ins is used only here ./iotbx/command_line/emma.py ./cctbx/adp_restraints/tst_ext.py Where it should be possible to substitute it though I have not tested it. Cordially Mirko Scholz