Abstract
Online Hanawalt Search Manual
In an attempt to fill a gap between fully automatic search/match programs and purely manual methods based on paper products, a relational database plug-in has been developed that functions as a PC-based Search/Index program for extracting information from PDF-4 powder diffraction databases. The plug-in provides an adjustable search window and match window to account for experimental errors. Both Hanawalt [1,2] and Fink [3] search methods are incorporated. In this paper, we report search-indexing results obtained with the new PDF-4 plug-in applied to a new relational database, the PDF-4/Organics 2003. This database has 24,385 experimental entries and 122,816 calculated patterns derived from the Cambridge Crystallographic Database (CSD). We introduce a Goodness of Match (GOM) parameter to describe the relative agreement between the experimental input data and selected reference patterns from the PDF-4/Organics 2003. The relevance of the GOM is illustrated in several example problems. Multiphase samples can be treated on a phase-by-phase basis.
The Search Window displays nine tabs. Each tab features multiple search criteria to allow you to data mine the PDF-4+. Searching the PDF-4+ is an iterative process that allows you to input user-defined criteria, view the results, and combine additional criteria to refine your results. However, if you did not get that result by only applying your search-match software, then you may explain how you get it (using the Hanawalt search manual, indexing and then finding the compound into the ICSD or CSD databases, etc).
Hanawalt Search Manual Download Windows 10
Powder Diffraction File: Hanawalt Search Manual: Inorganic Phases by International Centre for Diffraction Data, 1993, hanawalt edition. In an attempt to fill a gap between fully automatic search/match programs and purely manual methods based on paper products, a relational database plug-in has been developed that functions as a PC-based Search/Index program for extracting information from PDF-4 powder diffraction databases.