Data Record Size Reduction at Fixed Information Content

A method for compressing time-of-flight mass spectrometry data, comprising:

• obtaining a time series of data points representing amounts of detected ions per unit time produced by a time-of-flight mass spectrometer that analyzes a sample;
• receiving a resolution of the time-of-flight mass spectrometer, a digitization time period of the time-of-flight mass spectrometer, and a minimum number points per peak needed to maintain the information content of a peak;
• calculating a peak width value for each point in the time series from the resolution and a time of the each point;
• dividing the calculated peak width value for each point in the time series by the minimum number points per peak producing a maximum time difference between points for each point in the time series;
• selecting a point of the time series that has a time greater than a time of a point of the time series that has a maximum time difference between points greater than or equal to the digitization time period;
• locating a first point of the time series adjacent to and preceding the selected point and a second point of the time series adjacent to and following the selected point;
• and
• if a difference in time between a time of the first point and a time of the second point does not exceed a sum of a maximum time difference of the first point and a maximum time difference of the second point, deleting the selected point to compress the time series.

A computer program product, comprising a non-transitory and tangible computer-readable storage medium whose contents include a program with instructions being executed on a processor so as to perform a method for compressing time-of-flight mass spectrometry data, the method comprising:

• providing a system, wherein the system comprises one or more distinct software modules, and wherein the distinct software modules comprise a measurement module and an analysis module;
• obtaining a time series of data points representing amounts of detected ions per unit time produced by a time-of-flight mass spectrometer that analyzes a sample using the measurement module;
• receiving a resolution of the time-of-flight mass spectrometer, a digitization time period of the time-of-flight mass spectrometer, and a minimum number points per peak needed to maintain the information content of a peak using the analysis module;
• calculating a peak width value for each point in the time series from the resolution and a time of the each point using the analysis module;
• dividing the calculated peak width value for each point in the time series by the minimum number points per peak producing a maximum time difference between points for each point in the time series using the analysis module;
• selecting a point of the time series that has a time greater than a time of a point of the time series that has a maximum time difference between points greater than or equal to the digitization time period using the analysis module;
• locating a first point of the time series adjacent to and preceding the selected point and a second point of the time series adjacent to and following the selected point using the analysis module;
• and
• if a difference in time between a time of the first point and a time of the second point does not exceed a sum of a maximum time difference of the first point and a maximum time difference of the second point, deleting the selected point to compress the time series using the analysis module.