Import different data types on the same sample set – e.g. collect PXRD, Raman and DSC data on your new samples, then look at the results from each technique side by side. Do the different methods agree? Do the contradict each other?
Combine the results from multiple methods to get an overall view of your data – such a combined analysis makes spotting any inconsistencies in individual data sets easier, something that’s not possible with only one data source.
Collect and analyse multiple instances of the same type of data – e.g., collect PXRD data at different times, or pressures, or temperatures
Investigate a single dataset under different processing options – compare side by side the effects of background subtraction, or applying different derivative transformations to the data.
Pattern matching options
Work with up to four different data sets in each analysis simultaneously
PolySNAP automatically generates all possible combinations of the supplied datasets for additional analyses
Examine each data set separately, or combine them for a results overview
Each dataset can consist of up to 1,500 samples
Import data from PXRD RAW, Powder-CIF, ASCII, CSV, Raman SPC, Opus & other common file formats
Import raw numeric data – melting points, or even distance/angle data
Incorporate additional sample preparation information – solvents, times, pressures etc
Compare all supplied patterns with each other automatically
Automatic highlighting of outlier patterns and grouping of patterns into similar groups
Compare a selected pattern to a user-defined database
Pre-screen a large dataset (>100,000 samples) in minutes to find the subset of patterns most relevant to a new unknown and work with those
Data evaluation options
Background subtraction based on n-th order polynomial fitting
Noise-reduction using state of the art wavelet-based smoothing techniques
Masking of unwanted 2theta regions to remove impurity or internal standard peaks
Peak location picking
Refinable x-offset parameters to account for instrument and sample height differences