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 Written by and
copyright ©
Teodor Krastev


Last stable version - 1.6  

Spectrino is a freeware spectra preparation utility for "R project for statistical computing".
Spectrino is a stand-alone Windows application, but it can be connected to and used from within R. A range of visual options and tools allows the user to visually control and compare spectra. The principal aim of the program is to organize a spectral data tank into a structure for selective data extraction in R.

From the point of view of R, Spectrino is a library of functions (a package) for creation/modification of spectral data structures and selective data extraction. The latter is preceded by tunable pre-processing, optimized for discriminant analysis. The main data-extraction functions can also be initiated from Spectrino’s own menu.

Spectrino can be used without R as spectra visualizing / organizing tool and be remotely called from any application supporting COM interface (almost any programming language under Windows). Examples of using Spectrino functionality from Delphi XE2 and Python 2.7 are included in the package (Client.zip).

To whom....
R project statistical software offers powerful facilities for quantitative and qualitative analysis for different types of spectral data - variation analysis, linear and non-linear models, etc. From other side, all sorts of spectral instruments generate data, which must be formatted and organized for further analysis. Spectrino interposes between these two sides, serving as spectra organizer for the spectroscopists and as a visualization / data-extraction tool for the statisticians.

Here is a typical situation: mass-spectrometrist measured samples from different classes of compounds (e.g. types of oils), after visual check some of the measured mass-spectra are exported to Spectrino (as X-Y pair flat files) in the appropriate group. When the whole data collection is ready for analysis, the data (being in Spectrino) are ready for analysis. So if the mass-spectrometrist has some ready-to-use tools in R to analyze the data, he does it, otherwise the data collection (list of groups in Spectrino) is going to the statistics guys to deal with

A new (v1.6) Spectrino feature is COM server interface, so you can call Spectrino from any language or environment that speaks COM.

For more details, see the paper about Spectrino (pdf) in "Journal of Statistical Software" (v18, 2007) published by the American Statistical Association and/or the package pdf manual.

The name Spectrino is an allusion from neutron -> neutrino, so spectrum -> Spectrino (a tiny spectrum). 

NB If you need Spectrino to be customized or further develop according to your requirements, write HERE (hourly rates).