Thermo Fisher Scientific (bremen) Gmbh

Thermo Fisher Scientific Gmbh

Katja Tham

Robert Malek

Hans Pfaff

Christoph Henrich

Andreas Kühn

Michael W Linscheid

Johann-Christoph Freytag

Stephan Werner Heymann

Michael W Lindscheid

Stephan Heymann

A computer implemented method for compressing mass spectrometry data, the method comprising decomposing the mass spectrometry data of a mass stream emitted from a separation device as a function of a separation parameter into a plurality of mass traces, wherein the mass spectrometry data are generated by analysis in a mass spectrometer; identifying erroneous mass traces in the plurality of mass traces by applying an event detection algorithm to each of the plurality of mass traces; and forming a compressed version of the mass spectrometry data from the mass traces and the mass spectrometry data corresponding to the identified erroneous mass traces.

Systems and methods for extracting mass traces

A method of extracting a mass trace from mass spectrometry data of a mass stream emitted from a separation device as a function of a separation parameter, the method comprising, receiving the mass spectrometry data, wherein the mass spectrometry data comprise a plurality of mass spectra each obtained for respective values of the separation parameter; identifying, from the plurality of mass spectra, a sequence of three or more intensity peaks that are ordered according to the separation parameter, wherein said identifying the sequence of intensity peaks comprises, selecting an initial intensity peak at an initial mass, and for each other intensity peak, selecting said intensity peak based on at least the mass of an adjacent intensity peak in the sequence of intensity peaks, the method further comprising, providing a mass trace, for a given emitted compound of the mass stream, from the identified sequence of intensity peaks.

Disclosed herein is a method and an arrangement for the control of measuring systems such as a mass spectrometer or nuclear magnetic resonance (NMR) instrument, the control being based on an online data analysis of the current measurements. Depending on the measurement experiment, the combined result of the data analysis can have either a direct influence on the next measurement or result in a dynamically organized sequence of measurements. The measuring systems may be controlled by establishing a database that comprises information on the objects to be measured, the measurement data which can be detected during the measurement experiments using the measuring systems, and information regarding the relationships between or among items of the measurement data.

Method and arrangement for the control of measuring systems, corresponding computer program and corresponding computer-readable storage medium

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Bremen, Germany

Katja Tham