SIeve+ 2009 - Purchase

SIeve+, ICDD’s search indexing software for the PDF-4 product line, provides rapid searching and identification of materials using highly automated Hanawalt, Fink and Long 8 searches. SIeve+ takes advantage of the remarkable computing power of modern PCs to rapidly perform searches on hundreds of thousands of data entries. SIeve+ features automatic rotation of the 3 strongest lines (Hanawalt) or the 8 longest of the strongest lines (Fink) or the 8 longest lines (Long 8) to look for matches that exhibit the best Goodness of Match (GOM). The automatic rotations can be switched on/off in Preferences. For 2009, the GOM is now weighted to better equilibrate scoring of matches with entries having larger and smaller numbers of peaks. The “Pattern GOM” compares all lines in the unknown pattern against all lines in the reference pattern(s). The SIeve+ display allows a comparison between the standard GOM and the pattern GOM. Extensive digitized data plotting functions allow comparisons between experimental data and SIeve+ search/match results.

SIeve+ works with files containing a list of peaks (d-spacing/2-theta and intensity pairs) or files containing full experimental data (2-theta and intensity). A flexible text importer can read a wide variety of input files. SIeve+ is linked with global searches and Search Preferences from DDView+ allowing users to custom define their own PDF subfile for SIeve+ based on any of the 53 search method classes or combinations thereof. The results of SIeve+ can also be integrated into search criteria in DDView+.

Total Pattern Analysis Capabilities using an Integral Index for SIeve+

The Integral Index method has also been incorporated into SIeve+ as a tool for database users. This method is based on a similarity index that compares diffraction patterns to a reference pattern. In SIeve+, an Integral Index is calculated for all candidate reference materials, based on their default digital patterns.

SIeve+, a plug-in to DDView+, is licensed for an additional cost. It activates for a free 30-day trial period or until the product is registered.

Featuring

• Copy/paste operations from other programs (i.e., Microsoft® Excel®) for SIeve+ data entry
• Increased speed for SIeve+ Pattern GOM calculations
• Total Pattern Analysis: Integral Index
• User specified formatting for SIeve+ results table is now saved for future sessions
• Improved user interactions for selecting SIeve+ match candidates
• Improved database pre-screening with DDView+ searches providing more focused matching with SIeve+
• Import full experimental data for SIeve+
• Full pattern preview, background removal, smoothing, and interactive peak finding with SIeve+
• Integral Index calculations for full pattern imported data
• Automatic SIeve+ data import for known file types

Graphic output (below) from SIeve+ showing a 9 phase simulation of the experimental data for a Vitapower Vitamin tablet. The simulation identifies a series of vitamins, excipients and minerals. The identification process matched 226 d-spacings in the experimental pattern. The experimental data were taken at the Argonne National Light Source. Wavelengths and profiles were adjusted for the experimental conditions at the synchrotron. SIeve+ can simulate X-ray, neutron and electron diffraction data. This identification also demonstrates the power of using PDF-4+, which is a multisourced database. Six phases originated from ICDD experimental powder references, two phases referenced ICSD sources and one phase referenced an LPF source. The identification was made using the excipient and pharmaceutical subfiles in PDF-4+ as an interactive filter with SIeve+.

Multiyear Licenses are available. Please contact the ICDD's Customer Service Department for further information.