PolySNAP 3 Features Summary
See all of PolySNAP 3's key features - Detailed PDF [2.1Mb].
PolySNAP3
is a computer program for the classification of powder diffraction,
spectroscopic and numerical data either separately or combined. Cluster
analysis, multivariate data analysis and extensive data visualiza- tion
routines are used to automatically classify the patterns into groups,
validate the classification, and thus identify polymorphs, mixtures and
salts.
Multiple Data Set Analysis
- Look at up to four datasets in a single run
- Each dataset can have up to 1,500 samples
- Pre-screen a large dataset of over 100,000 samples to find the subset most relevant to a new unknown sample
- Work with PXRD, Raman, IR, DSC, other numeric data
- Work with different datatypes individually, or get a combined analysis overview
- Comparison of a selected
pattern to a user-defined database
Pattern Matching:
Analysis
of many patterns in a single run- Comparison of all
patterns with each other
- Comparison of a selected
pattern to a user-defined database
- Use of simulated
patterns when experimental profiles are unavailable
Data processing:
Background
subtraction based on n-th order polynomial
fitting- Noise-reduction
using state of the art wavelet-based
techniques
- Masking of
unwanted 2Ø regions to remove impurity or
internal standard peaks
- Optional
peak location marking
- Refinable
x-offset parameters
Results
Visualisation:
Colour-coded cell displays
represent results- Colour-coded
pie chart for display of quantitative analysis results
- Dendrogram
display for similarity analysis
- Fully interactive
rotatable 3D plots
- different samples of
the material visibly cluster together
Pattern overlays and difference
plots- Modified 3D plots to additionally display
sample preparation information
- e.g.
solvents, reaction times, etc.
- Integrated
sample picture display
- Colour-coded tables of raw numerical
results
Data exchange and Printing
Automated
report writer (RTF, HTML)- Automatic creation of
reports incorporating program settings, results, and display screenshots
- Time/date
stamped logfile to assist with audit trail procedures
- Full
clipboard support
- Integration with other Bruker
software