PDF-4 Software

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PDF-4 SUPPORT SOFTWARE HIGHLIGHTS

ICDD's data mining software is integrated into all PDF products. This software provides more display, search, and data filtering capabilities for the PDF-4 format of the Powder Diffraction File. The program contains 72 different search methods to filter the database contents with custom display of a selection of 125 separate data fields. Using a Java™ point and click interface, various search methods and field selections can be combined to produce a nearly limitless choice of data mining options. Search criteria in our data mining software can also be used to focus the results of SIeve+ search-indexing onto user-defined subsets of PDF entries.

Capabilities

  • Multifunction search form
  • Components inside windows are resizeable
  • Search Tabs form can be undocked
  • Displayed data can be copied onto the clipboard
  • Estimated Standard Deviation (ESD) available for most numeric searches
  • Help files integrated with the PDF entry
  • Electron Backscattering Pattern
  • Electron Diffraction Pattern
  • Bond distances/Angles display
  • Crystallographic calculations toolbox
  • Temperature Series Links
  • 3D Crystal Structure display using Jmol graphics

 

PDF Entry Display

  • Powder pattern Simulation for any X-ray, neutron, or electron wavelength
  • Choice of simulated powder pattern profiles
  • View up to 3 tables of d-spacings and intensities with choices of fixed slit, variable slit and integrated intensities
  • Use the undocking facility to move tables and compare them either nested or side by side
  • 3 strongest spacings in bold
  • Added fields for modulated structure descriptions
  • CIF file export available for input to Rietveld and other analysis software
  • Crystallographic data displayed in the “Structure” tab section of the PDF Card
  • Live DOI links on Reference page
  • Improved XML export

 

Results Form Capabilities

  • Most results table columns can be graphically displayed
  • Directly add a selection of any of 119 fields from the Preferences menu option, sort, move and resize
  • Columns in all results tables can be sorted, moved and resized by a mouse point and click
  • Open multiple PDF cards simultaneously with options to plot multiple digital patterns for custom selected groups
  • Calculations for mean, median, and ESD for displayed numeric values
  • Search parameters displayed on results form
  • Middle mouse click on column header performs standard sort
  • Middle mouse click on cell views data in a separate window
  • Ability to add any field directly to results from the Preferences menu option
  • Flexible formulae sorting in search results
  • Search report options added in preferences: prompt for title, scale fields to fit page

 

Search Features

  • Author and crystal cell searches compliment reduced cell searches. Cell parameter and volumes may be searched within specified ranges or error limits (ESD's)
  • On-the-fly conversion between author data and either crystal or reduced cell data
  • "Not" operator available for every search
  • Search on any combination of L1, L2, and L3 for Long Line(s)
  • Search on any combination of d1, d2, and d3 for Strong Line(s)
  • Search on any combination of Dmeas, Dcalc, and Dstruc for Density
  • Periodic Table search includes And, Or, Only, Just, and Not Boolean operators
  • Optional ‘Yes/No/Maybe’ Periodic Table search
  • Crystal Symmetry Allowed properties (i.e. Piezoelectric)

 

Search Preferences

  • Fields can be displayed for crystal, author and reduced cell parameters and unit cell volumes
  • Search preferences—quick choice of existing sets of display fields

 

Graphing Capabilities

  • Add and delete patterns on-the-fly with the ability to individually tailor each pattern for instrument and specimen profile functions
  • Particle Size profile function
  • Debye-Scherrer/Bragg-Brentano geometry choices
  • X-axis choices: 2θ, 1/d, d, Q
  • Graph can be panned when zoomed
  • Advanced custom importing
    • Save custom settings
    • 2-theta correction
    • Apply wavelength
    • Background
    • Enhanced plot settings
    • Change color of line
    • Scale intensities to highest peak

 

SIeve+ 2018 - Purchase
SIeve+ provides rapid searching and identification of materials using highly automated Hanawalt, Fink and Long-8 searches. SIeve+ takes advantage of the dynamic computing power of modern PCs to rapidly perform permuted searches on hundreds of thousands of data entries. This enables Fink and Long-8 algorithms that are impractical with print, due to their enormous size with permutation. A new feature for this release is automatic rotation of the  8 strongest lines (Hanawalt) or the 8 longest of the strongest lines (Fink) or the 8 long lines (Long 8) to look for matches that exhibit the best Goodness of Match (GOM). Historically, these rotation operations were anticipated and integrated into paper manual search-index method protocols; they can be switched on/off in SIeve+ using the Preferences function. The paper manual search schema always offers a litmus test for searching, namely that all the lines in the unknown pattern must be matched against all the lines in the reference pattern(s). To address this comparison, we have implemented a “Pattern GOM” that provides this comparison. 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 either input d/I pairs or electronic files that contain d or two-theta/I data. A flexible text importer can read a wide variety of input files; any number of d/I pairs can be imported. SIeve+ is linked with Global searches and Search Preferences from our integrated software. This means that a user can custom define a SIeve+ input filter based on any of the 72 search method classes or combinations thereof. The results of SIeve+ can also be integrated into search criteria in our viewing software.

Additional Features

  • Phases displayed in a table with options for sorting
  • Selecting phases highlights corresponding matched lines
  • Colors distinguish d-spacings that fall within a match window
  • Sessions including examples are stored in XML files
  • Units added to appropriate display fields: angstroms, degrees
  • No limit on number of experiment lines
  • No limit on number of phases
  • Improved algorithms (speed and function)
  • Pattern GOM
  • I/Ic for matches and phases
  • Advanced custom importing: Save custom settings
  • ‘Second Pass’ filter removes false positive hits
  • Electron Diffraction search optimizes algorithm for searching electron diffraction data