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Re: Transfer from msCIF: refine_ls_class category
- To: Multiple recipients of list <coredmg@iucr.org>
- Subject: Re: Transfer from msCIF: refine_ls_class category
- From: "I. David Brown" <idbrown@mcmail.cis.McMaster.CA>
- Date: Tue, 8 Dec 1998 18:21:07 GMT
Here are my comments. David ***************************************************** Dr.I.David Brown, Professor Emeritus Brockhouse Institute for Materials Research, McMaster University, Hamilton, Ontario, Canada Tel: 1-(905)-525-9140 ext 24710 Fax: 1-(905)-521-2773 idbrown@mcmaster.ca ***************************************************** >(1) Does the Group agree that I should implement Howard's scheme as it > stands? > Thus the REFLNS_CLASS category is an addition to the REFLNS_SHELL category, > and definitions should be modified to make this explicit, e.g.: > > data_reflns_class_[] > _name '_reflns_class_[]' > _definition > ; Data items in the REFLNS_CLASS category record details, for > each reflection class assigned according to some criterion > other than shells of resolution, about the reflections used > to determine the structural parameters. Details of each > resolution shell are described in the category REFLNS_SHELL. > ; I agree. > > (2) Does the Group see at this stage a genuine need for a data name such as > the suggested _refln_diffrn_class_code to identify experimental binning among > the reflections listed in the refinement lists? Let's wait and see if this is needed. Gotzon may well require this for his msCIF application. > > (3) Is the Group happy with the proposed handling of overlapping bins through > application-specific compound codes? I do not understand the question. What are the overlapping bins and what are the application-specific compound codes? > > (4) is there general agreement with the suggested data names in the two new > categories? I agree.
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