Imaging mass spectrometric data processing method and imaging mass spectrometer

Patent metadata

Field	Value
Publication number	US-2016071711-A1
Application number	US-201414785938-A
Country	US
Kind code	A1
Filing date	Apr 21, 2014
Priority date	Apr 22, 2013
Publication date	Mar 10, 2016
Grant date	—

Abstract

Compressed data of mass spectra obtained at respective measurement points and normalization coefficients for XIC normalization or the like are stored in a memory ( 21 ). When a normalized imaging graphic at a specific m/z value is to be displayed, a data decompression processor ( 23 ) reads the minimally required set of compressed data from the memory ( 21 ) and restores the intensity value corresponding to the m/z value at each measurement point. A normalizing calculation processor ( 29 ) reads an XIC normalization coefficient corresponding to the m/z value from the memory ( 21 ) and corrects the intensity values at each measurement point by multiplying those values by the coefficient. An imaging graphic creation processor ( 27 ) assigns a display color to each of the corrected intensity values to create an imaging graphic, and displays the imaging graphic on the screen of a display unit ( 6 ). According to this method, even in the case of sequentially displaying imaging graphics while changing the normalization condition, those graphics can be displayed at high speeds if the normalization coefficients are previously calculated and stored.

First claim

1 . An imaging mass spectrometric data processing method for processing imaging mass spectrometric data collected by performing a mass spectrometry on each of a plurality of measurement points on a sample, the imaging mass spectrometric data including a plurality of sets of mass spectrum data, where each set is composed of a one-dimensional array of ion-intensity values, related to spatial position information of the measurement point, and the method comprising:
a) a compression step, in which a compression process is performed on the imaging mass spectrometric data of each measurement point according to a predetermined algorithm, and the obtained compressed data are stored in a first storage area of a storage unit; b) a normalization coefficient preparation step, in which a normalization coefficient for normalizing the intensity values in the imaging mass spectrometric data of each measurement point according to a predetermined criterion is calculated for each measurement point, and the calculated result is stored in a second storage area of the storage unit; c) a normalized spectrum creation step, in which at least one of an accumulated mass spectrum, an average mass spectrum or a maximum intensity mass spectrum composed of maximum intensity values extracted at each mass-to-charge ratio, of normalized mass spectra obtained at a plurality of designated or specific measurement points, is calculated as a normalized mass spectrum, using the compressed data of the intensity values corresponding to each measurement point stored in the first storage area of the storage unit, the normalization coefficient of each measurement point stored in the second storage area of the storage unit, and the spatial position information of the measurement points; and d) a normalized graphic creation step, in which an imaging graphic showing a two-dimensional distribution of the normalized intensity values for a designated or specific mass-to-charge ratio or mass-to-charge-ratio range is created, using the compressed data of the intensity values corresponding to each measurement point stored in the first storage area of the storage unit, the normalization coefficient of each measurement point stored in the second storage area of the storage unit, and the spatial position information of the measurement points.

2 . The imaging mass spectrometric data processing method according to claim 1 , further comprising:
a mass-to-charge ratio specification step, in which the normalized mass spectrum created in the normalized spectrum creation step is displayed on a screen of a display unit, and a mass-to-charge ratio or mass-to-charge-ratio range of the imaging graphic to be created in the normalized graphic creation step is set in response to a specification of the mass-to-charge ratio or mass-to-charge-ratio range by an operator based on the displayed information.

3 . The imaging mass spectrometric data processing method according to claim 1 , further comprising:
a spectrum creation step, in which at least one of an accumulated mass spectrum, an average mass spectrum or a maximum intensity mass spectrum of nonnormalized mass spectra obtained at a plurality of designated or specific small measurement areas is calculated, using the compressed data of the intensity values corresponding to each measurement point stored in the first storage area of the storage unit and the spatial position information of the measurement points; and a graphic creation step, in which an imaging graphic showing a two-dimensional distribution of nonnormalized intensity values for a designated or specific mass-to-charge ratio or mass-to-charge-ratio range is created, using the compressed data of the intensity values corresponding to each measurement point stored in the first storage area of the storage unit and the spatial position information of the measurement points.

4 . The imaging mass spectrometric data processing method according to claim 1 , further comprising:
a peak matrix creation step, in which a peak detection is performed on either the normalized mass spectrum created in the normalized spectrum creation step or nonnormalized mass spectrum to create a list of mass-to-charge-ratio values of peaks, the intensity values corresponding to the mass-to-charge ratios in the list are determined from the mass spectrum data of each measurement point, and a peak matrix holding those intensity values arranged according to the mass-to-charge-ratio values is created; a peak matrix normalization step, in which the intensity values in the peak matrix created in the peak matrix creation step are normalized by the normalization coefficient prepared in the normalization coefficient preparation step; and a statistical analysis step, in which a statistical analysis is performed on the peak matrix normalized in the peak matrix normalization step or on the peak matrix created in the peak matrix creation step.

5 . The imaging mass spectrometric data processing method according to claim 4 , further comprising:
a display step, in which the imaging graphic created in the normalized graphic creation step, the normalized mass spectrum created in the normalized spectrum creation step, and a statistical analysis result obtained in the statistical analysis step are simultaneously displayed on a screen of a display unit.

6 . The imaging mass spectrometric data processing method according to claim 4 , further comprising:
a display step, in which all or at least some of following kinds of information are simultaneously displayed on a screen of a display unit: one normalized imaging graphic or a plurality of normalized imaging graphics with different normalization conditions created in the normalized graphic creation step; one normalized mass spectrum or a plurality of normalized mass spectra with different normalization conditions created in the normalized spectrum creation step; and the statistical analysis result obtained in the statistical analysis step in which a statistical analysis is performed on one normalized peak matrix or a plurality of normalized peak matrices with different normalization conditions normalized in the peak matrix normalization step, or on the peak matrix created in the peak matrix creation step.

7 . An imaging mass spectrometric data processing method for processing imaging mass spectrometric data collected by performing a mass spectrometry on each of a plurality of measurement points on a sample, the imaging mass spectrometric data including a plurality of sets of mass spectrum data, where each set is composed of a one-dimensional array of ion-intensity values, related to spatial position information of the measurement point, and the method comprising:
a) a compression step, in which a compression process is performed on the imaging mass spectrometric data of each measurement point according to a predetermined algorithm, and the obtained compressed data are stored in a first storage area of a storage unit; b) a graphic creation step, in which an imaging graphic showing a two-dimensional distribution of nonnormalized intensity values for a designated or specific mass-to-charge ratio or mass-to-charge-ratio range is created, using the compressed data of the intensity values corresponding to each measurement point stored in the first storage area of the storage unit and the spatial position information of the measurement points; c) a spectrum creation step, in which at least one of an accumulated mass spectrum, an average mass spectrum or a maximum intensity mass spectrum of nonnormalized mass spectra obtained at a plurality of designated or specific small measurement areas is calculated, using the compressed data of the intensity values corresponding to each measurement point stored in the first storage area of the storage unit and th

Assignees

• Shimadzu Corp

Inventors

• Ikegami Masahiro

Classifications

• H01J49/164

  Laser desorption/ionisation, e.g. matrix-assisted laser desorption/ionisation [MALDI] (sample holders H01J49/0418) · CPC title

• H01J49/0004

  Imaging particle spectrometry · CPC title

• H01J49/40

  Time-of-flight spectrometers (H01J49/36 takes precedence) · CPC title

• H01J49/0036 Primary

  Step by step routines describing the handling of the data generated during a measurement · CPC title