Abstract

Residual gas analysis may be time consuming if the identification of all gas species and their quantitative contribution to the mass spectrum is required. This is because the partial pressures of the residual gas cover several orders of magnitudes and fragmentation patterns are in general convoluted. Noise, offset, and the limited mass ranges of the analysers used in UHV applications further reduce the sensitivity of a spectrum. In this work, the authors propose a method to simulate residual gas spectra based on fragmentation patterns and partial pressures. With an iterative algorithm, residual gas spectra can be deconvoluted in logarithmic scale. The use of indicators simplifies the identification of residual gas compositions. The authors realised this algorithm in a prototype application. The performance of this tool is encouraging and opens the path for the development of an UHV specific web-based application.

Highlights

  • The purpose of residual gas analysis (RGA) is the identification and quantification of partial pressures in a vacuum system, in particular traces of contaminations

  • The web site hereafter gives an overview of existing software in this field and [4]describes the status and perspective of deconvolution methods in gas chromatography mass spectrometry-based metabolomics https://en.wikipedia.org/wiki/List _of_mass_spectrometry_software#cite_note-68

  • The methods used in analytical chemistry to deconvolute coeluted species in gas chromatography mass spectrometry are not practicable with the instruments used in ultrahigh vacuum (UHV)

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Summary

Introduction

The purpose of residual gas analysis (RGA) is the identification and quantification of partial pressures in a vacuum system, in particular traces of contaminations. The web site hereafter gives an overview of existing software in this field and [4]describes the status and perspective of deconvolution methods in gas chromatography mass spectrometry-based metabolomics https://en.wikipedia.org/wiki/List _of_mass_spectrometry_software#cite_note-68 (accessed Oct 2020). Those algorithms are generally combined with gas sepa­ ration methods and the analysers do not work at the pressure limits of the system. The methods used in analytical chemistry to deconvolute coeluted species in gas chromatography mass spectrometry are not practicable with the instruments used in UHV. A detailed description about the reconstruction of residual gas spectra can be found in the CERN Accelerator School tutorial: https://indico.cern.ch/event/565314/contributions/2285748 /attachments/1467497/2281208/CAS_Tutorial_RGA_Reconstructi on_Mass_spectra.pdf

Simulation of residual gas spectra
Deconvolution
Residual gas analysing steps in the prototype tool
Time needed for the analysis
Findings
Conclusion and future perspective
Full Text
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