ChromaTOF TileGCxGC-TOFMS Data Analysis: Turn Your Data into Chemistry
The volume of GCxGC data can quickly become overwhelming. Multiple tables of thousands of analytes can require months of data mining at a pixel level to find the minute differences between data sets, and even those results are plagued with false positives from normal chromatographic variation.
ChromaTOF Tile revolutionizes how GCxGC data is analyzed. This software compares GCxGC data files quickly and easily. Statistically significant differences rise to the top so you can spend less time finding the differences and more time finding out what they mean.
This video is rendered in an iframe. If it does not load, click here to access.“ChromaTOFTile is an enabling technology that has reduced our peak picking time from 10 days to 10 minutes. We are now comparing groups of peak-rich samples from complex studies that would have previously required complicated, custom-built solutions.”
Designed for Sample Group Differentiation
Optional heatmap tables are incorporated throughout the interface to give instant feedback on relative intensities. ChromaTOF Tile finds differences between two or more classes of samples, such as: biomarkers distinguishing healthy from not; off-odor detection in food samples that passed or failed quality control; water samples up- and down-stream from an outflow source; petroleum samples from various geographical origins; and anything else you can imagine.
Features
- ChromaTOF Tile is a separate, stand-alone product to be used in conjunction with ChromaTOF
- All of the tables and plots throughout the interface are exportable for more efficient reporting and to allow you to do more with your data
- Clean library-searchable spectra is generated from the tiling process
- Areas of the tiles are used to approximately quantify trends across the samples
Theory of Operation
The Problem: Comparing sets of chromatograms can be a tedious and lengthy process. With the need to compensate for chromatographic misalignment and count thousands of analytes, even automatic sample identification could take days, weeks, or even months. Our customers asked us to help provide a way to expedite data analysis.
The Solution: Utilizing customer data – real samples – we set out to find a solution. In consultation with Dr. Robert Synovec, we found that if we utilized Fisher Ratios, we could partition the data into a set of regions (‘tiles’) and compare the regionalized (‘tiled’) data, rather than each individual pixel.
After essentially averaging the values in a region, our ChromaTOF Tile software compares two corresponding regions to assess the value of difference between these regions. Presented in a graphical means, the software provides users with indicators of low-to-high variance among regions.
These graphic heatmaps quickly and easily draw users’ eyes to areas of high variance, or high interest, reducing the time you spend looking for data outliers. Visually, you can see where the differences are and know what data you should be looking at for your comparisons.
ChromaTOF Tile does not change the data that is supplied. By comparing tiles instead of pixels, the system can reduce alignment shift flags to better show only the significant differences between the data sets.
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LECO has created powerful software tools designed to make GC and GCxGC data interpretation faster and easier than ever. LECO’s Pegasus® Series of GC-MS instruments come pre-loaded with ChromaTOF® software, offering features like automatic data saving, tools for absolute concentration of analytes based on calibration curves, importable workspace templates for reduced set-up times, and non-target peak finding with deconvolution for discovery work.