Products Facts - Xtricator
Resolving Multicomponent Data into Spectra and Chromatograms
Xtricator is a software package for quantitative and qualitative analysis of data from analytical instruments like HPLC-DAD, GC-IR, GC-MS, LC-MS, FTIR, excitation-emission spectroscopy, etc.
Xtricator contains procedures for:
Background Correction and Data Pre-processingIncluded in Xtricator are routines for correction of baseline drift and offset as well as systematic spectral backgrounds. Data with heteroscedastic noise (noise dependent upon signal level) can be transformed to homoscedastic noise (noise independent upon signal level). Xtricator offers you sophisticated ways of detecting baseline drift and offset. ·
A latent-projective graph (LPG) is a tool used to detect selective regions and background.
Determination of Decision Limit
A multivariate decision limit is determined from the data - not by any a priori assumption of the system behaviour. In this way, we account for the fact that the decision limit for an analyte depends both on the other coexisting analytes, and the specific noise behaviour of the instrument. Xtricator also supports a Wavelet based dynamic decision limit.
To analyse multicomponent systems it is necessary to determine the chemical rank (number of analytes) in the different regions of the data table. The rank mapping procedure in Xtricator is called ETA (Eigenstructure Tracking Analysis). ETA is a "moving window of evolving size" technique. This map displays the information about the number of analytes in different data regions. The information in the rank map is subsequently used in the resolution process, where every analyte's analytical profiles are calculated. The ETA plot is a very important visual tool in Xtricator.
Resolution into Spectra and ChromatogramsXtricator supports two different kinds of resolution approaches, Direct and Iterative methods.
The three main methods included in Xtricator are:
These methods again consist of several techniques performing different tasks, eg. Principal Components Analysis (PCA) and Evolving Factor Analysis (EFA).
It is sometimes interesting to investigate the correlation between a selective region (e.g., a pure peak) and all other parts of the data. Correlation chromatography is designed for this purpose. This technique uses correlation coefficients to assess the degree of similarities. A correlation coefficient near 1.0 indicates that the test compound contributes to the investigated area, while a coefficient near 0.0 indicates regions with chemical analytes that are very different from the tested one
Interacting with Other Software PackagesFiles can be imported from and exported to various formats, such as ASCII, Excel, Lotus, JCAMP, and CDF. Other instrument formats can be implemented on request. Both resolved chromatograms and spectra can be exported and plots can be placed on the clipboard and pasted into other software packages like Word, AmiPro, etc. Plots can be copied as bitmaps and metafiles
Required Hardware and Software
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