Final draft of Phase-ID report
David Brown idbrown at mcmaster.caMon Jul 12 14:45:27 BST 2004
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Thanks, Sidney, for your approval and noted corrections. I will make these in the final draft >4. In the INTRODUCTION, the .txt format converted the letter “é” >in “Tolédano” into “,” and should be corrected. Other examples of >this conversion are in the REFERENCES. > .txt files cannot, of course, render accents. I prefer to work on drafts in .txt files as far as possible as not everyone has the word perfect program that I use for composition. When the report is submitted for publication, I will provide it is the form that is required by the journal (or the chair of the Commission). >6. The section GENERAL CONSIDERATIONS is very clear about >well-characterised materials. It gives no guidance in the case of >ill-characterised materials. We should add a final paragraph to this >section with appropriate advice. > If you have some suggestions I will be glad to consider them. The nature of the ill-characterization will be different in each case and I am not sure what general advice one can give. Clearly one can only use the fields for which information is available and one may therefore retrieve more than one structure. This much is obvious and hardly needs to be said, and I don't know what more one could add. >7. Section 5.1 may require revision after the final beta test version >is out in a week or so. Perhaps we should consider holding this report >until INChI v.1.0 is issued? > In the same section, use of the word “main” as in “SC:m/” is not >immediately clear and should be clarified. > I have no idea what it means either, but I copied this from the only material that was available. Maybe version 1.0 will be more explicit. -- Dr. I.D.Brown, Professor Emeritus, Department of Physics and Astronomy McMaster University, Hamilton Ontario, Canada
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