Process and system for sample analysis
Components resolved in time by a separator accumulate in a sample cell and are analyzed by electromagnetic radiation-based spectroscopic techniques. The sample cell can be configured for multiple path absorption and can be heated. The separator can be a gas chromatograph or another suitable device, for example a distillation-based separator. The method and system described herein can include other mechanical elements, controls, procedures for handling background and sample data, protocols for species identification and/or quantification, automation, computer interfaces, algorithms, software or other features.
1. A computer system for analyzing a sample, the computer system controlling generation of components from a sample, the computer receiving infrared spectral responses of the components in a sample cell from an optical spectroscopy system and comparing the infrared spectral responses to previously generated infrared spectral responses to identify and/or quantify the components; wherein the computer system generates user interface showing mass (ng) or concentration on the y-axis with compounds shown as lines at their respective R.I. (Retention Index).
2. A computer system as claimed in claim 1 , wherein the computer system generates a user interface showing a pseudo chromatogram of peak signal verses time.
3. A computer system as claimed in claim 2 , wherein the user interface further shows graph showing an infrared spectrum related to point time indicated on the pseudo chromatogram.
4. A computer system as claimed in claim 1 , wherein unknowns to a library are listed by their retention index along with the features identified and likeliness they contain a certain functionality.
5. A computer system as claimed in claim 1 , wherein the optical spectroscopy system is an Fourier transform infrared spectrometry system.
6. A method for analyzing a sample with a computer system, comprising:
the computer system controlling the generation components from a sample and acquiring infrared spectral responses of the components over time from an optical spectrometry system;
the computer system comparing the infrared spectral responses to previously generated infrared spectral responses to identify and/or quantify newly generated components; and
the computer system generating a user interface showing mass (ng) or concentration on the y-axis with compounds shown as lines at their respective R.I. (Retention Index).
7. A method as claimed in claim 6 , further comprising the computer system generating a user interface showing a pseudo chromatogram of peak signal verses time.
8. A method as claimed in claim 7 , wherein the user interface further shows a graph showing an infrared spectrum related to point time indicated on the pseudo chromatogram.
9. A method as claimed in claim 6 , wherein unknowns to a library are listed by their retention index along with the features identified and likeliness they contain a certain functionality.
10. A method as claimed in claim 6 , wherein the infrared spectral responses are generated by a Fourier transform infrared spectrometry system.