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					    Organic & Pharmaceutical Subcommittee – Attachment No.2


                                     Merck Index Project Flow Chart
                                              March 2001


                                     500 entries abstracted from Merck Index
                                    (12th Edition) and entered in Excel Spread-
                                    sheet according to agreed format.


                                      File sent to ICDD
                                        (T. Kahmer)
                                     ICDD (F. Needham checks molecular formula
                                     of each entry against Cambridge Structural
                                     Database (CSD), and F. McClune checks
                                     entries against Powder Diffraction File.)




                         PDF                     Are there any hits                        CSD
                                                 in PDF or CSD?




Enter PDF # in Excel spreadsheet.                                                 F. Needham sends CSD molecular formula
                                                    Return to T.                  hits to S.F. Lin to search for CSD structural
                                                    Kahmer                        formula hits. If match occurs, he will enter
                                                                                  the CSD Ref. Code in the spreadsheet.



                                                                                              Merck entries which have
                                                                                              structural formula hits in CSD
                                          Excel file now containing CSD and                   will have powder patterns
                                          PDF flags sent to G. Stephenson by                  calculated by Science Dept.
                                          T. Kahmer.




                                Greg Stephenson will compare the 1200 entries in the
                                United States Pharmacopaeia (USP) with these
                                spreadsheet entries.
   Organic & Pharmaceutical Subcommittee – Attachment No.2




                           Any entries in the Merck Excel File that
                           appear in the USP list will be flagged
                           with “P” or “USP”.




Supply Grant-in-Aid Committee                                Copy of the Merck Excel File containing
with details of pharmaceutical                               flags for PDF hits, CSD hits and USP hits
compounds from USP which do                                  sent to D. Rendle. All un-flagged entries,
not have powder patterns in the                              i.e. those not classified as pharmaceuticals,
PDF.                                                         to be prioritised in terms of their perceived
                                                             importance to the Organic PDF.




                                                                 Compare this prioritised list of non-
                                                                 pharmaceutical organic compounds
                                                                 with Sigma-Aldrich or Fluka
                                                                 catalogue to check on availability and
                                                                 price. Pass list to GiA committee.




                 Grant-in-Aid Committee should now have a prioritised list of:

                 (a) pharmaceuticals with their sources (USP or a Fine Chemical
                     Supplier) and purchase price
                 (b) other organic compounds regarded as important, with their
                     sources and purchase price

                 The committee can inform potential grantees of all compounds
                 whose powder patterns ICDD would most like to be included in the
                 Organic PDF. Grantees then obtain compounds, collect powder data
                 and submit to ICDD for inclusion in the Organic PDF.

				
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