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WO2019150653A1 - Dispositif de traitement d'affichage, système de spectrométrie de masse d'imagerie et procédé de traitement d'affichage - Google Patents

Dispositif de traitement d'affichage, système de spectrométrie de masse d'imagerie et procédé de traitement d'affichage Download PDF

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Publication number
WO2019150653A1
WO2019150653A1 PCT/JP2018/036951 JP2018036951W WO2019150653A1 WO 2019150653 A1 WO2019150653 A1 WO 2019150653A1 JP 2018036951 W JP2018036951 W JP 2018036951W WO 2019150653 A1 WO2019150653 A1 WO 2019150653A1
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Prior art keywords
intensity distribution
unit
classification
distribution data
display
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PCT/JP2018/036951
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English (en)
Japanese (ja)
Inventor
倫憲 押川
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株式会社島津製作所
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Priority to JP2019568577A priority Critical patent/JP6897804B2/ja
Publication of WO2019150653A1 publication Critical patent/WO2019150653A1/fr

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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N27/00—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means
    • G01N27/62—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode

Definitions

  • the present invention relates to a display processing device, an imaging mass spectrometry system, and a display processing method for displaying a plurality of two-dimensional intensity distribution images obtained by imaging mass spectrometry.
  • Imaging mass spectrometry is a technique for examining the distribution of substances having a specific mass in a sample by performing mass analysis on a plurality of measurement points in a two-dimensional region of the sample.
  • Patent Literature 1 describes an imaging mass spectrometer that performs imaging mass spectrometry.
  • mass spectral data indicating the relationship between the mass-to-charge ratio and the ion intensity value in a predetermined range of the mass-to-charge ratio is acquired for each measurement point in the two-dimensional region of the sample. Is done.
  • a set of mass spectrum data acquired for all measurement points in the two-dimensional region is referred to as mass spectrometry imaging data.
  • a two-dimensional intensity distribution image (hereinafter referred to as an intensity distribution image) is generated based on the mass spectrometry imaging data.
  • the intensity distribution image is an image showing a two-dimensional distribution of ion intensity values corresponding to an arbitrary mass-to-charge ratio, and is also called an MS image (mass analysis image) or a mass imaging image. Since mass spectrometry imaging data includes a huge number of sets of mass-to-charge ratios and ion intensity values, it is possible to generate a huge number of intensity distribution images from a single mass spectrometry imaging data.
  • International Publication No. 2016/103312 International Publication No. 2016/103312
  • the imaging mass spectrometer may be provided with a function for displaying a plurality of intensity distribution images side by side.
  • the user can analyze the distribution of the specific component in the sample by viewing the plurality of displayed intensity distribution images and selecting a desired intensity distribution image.
  • the number of intensity distribution images that can be generated by the imaging mass spectrometer is enormous, it is not easy to find a desired intensity distribution image from a plurality of displayed intensity distribution images.
  • analysis of a plurality of samples may be performed simultaneously using mass spectrometry imaging data of a plurality of samples.
  • the number of intensity distribution images that can be generated further increases, it becomes more difficult to find a desired intensity distribution image from a plurality of displayed intensity distribution images.
  • An object of the present invention is to provide a display processing apparatus, an imaging mass spectrometry system, and a display processing method capable of efficiently finding a desired intensity distribution image from a plurality of intensity distribution images.
  • a display processing device is a display processing device that performs display processing using a display unit, and acquires an acquisition unit that acquires a plurality of mass spectrum data for a plurality of measurement points of a sample;
  • a generation unit that generates intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to an arbitrary mass-to-charge ratio in a plurality of mass spectrum data, and a plurality of units generated by the generation unit corresponding to the plurality of mass-to-charge ratios
  • a storage unit that stores intensity distribution data, a classification standard reception unit that receives designation of any one of a plurality of classification standards for classifying each intensity distribution data into one of a plurality of groups, and a classification standard reception
  • each intensity distribution data is classified into one of a plurality of groups based on any one of the plurality of classification criteria specified, and the plurality of classified intensity distribution data is a plurality of It is divided into groups as intensity distribution images and displayed on the display unit. Therefore, even if the number of intensity distribution images is enormous, the plurality of intensity distribution images are classified and displayed in a state of being arranged for each group classified based on a desired classification criterion. Thus, the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
  • the classification criterion receiving unit is configured to be able to receive designation of a plurality of classification criteria, and the classification unit generates a plurality of groups based on a logical operation of the plurality of classification criteria designated by the classification criterion receiving unit.
  • the intensity distribution data stored in the storage unit may be classified into any of a plurality of generated groups.
  • the classification methods that can be specified by the user are diversified. Thereby, the freedom degree of the classification
  • the classification unit generates a plurality of groups based on a logical product of a plurality of classification criteria specified by the classification criterion reception unit, and generates each intensity distribution data stored in the storage unit of the generated plurality of groups. You may classify into either. In this case, the plurality of intensity distribution data is classified into a plurality of groups subdivided by a combination of a plurality of classification criteria. As a result, the user can accurately find a desired intensity distribution image from a plurality of intensity distribution images.
  • the classification unit generates a plurality of groups based on a logical sum of the plurality of classification criteria specified by the classification criterion reception unit, and generates each intensity distribution data stored in the storage unit of the generated plurality of groups. You may classify into either. In this case, a plurality of intensity distribution data are classified into a plurality of groups in parallel based on a plurality of classification criteria. Thereby, the user can easily find a desired intensity distribution image from a plurality of intensity distribution images.
  • the display processing device includes a group reception unit that receives selection of one or a plurality of groups among a plurality of groups based on the classification criteria specified by the classification criterion reception unit, and each intensity distribution data stored in the storage unit An extraction unit that extracts a plurality of intensity distribution data belonging to one or a plurality of groups selected by the group reception unit, and the display control unit outputs the plurality of intensity distribution data extracted by the extraction unit to a plurality of intensities.
  • the distribution image may be divided into groups and displayed on the display unit.
  • Multiple classification criteria are attributed to the identification information for specifying the measured sample, the value of the mass-to-charge ratio specifying the substance in the sample, the type of matrix used for the measurement, and the substance in the sample.
  • Two or more classification criteria may be included among the types of peaks that appear and the neutral loss.
  • multiple intensity distribution images are displayed on the display unit in a state where identification information, mass-to-charge ratio values, matrix types, mass spectral data peak types, or neutral loss or a combination of these are grouped. Is done. Accordingly, the user can more efficiently find a desired mass analysis image intensity distribution image from the displayed plurality of mass analysis image intensity distribution images.
  • An imaging mass spectrometry system includes an imaging mass analysis unit that generates a plurality of mass spectrum data for a plurality of measurement points of a sample, a display unit, and a display process using the display unit. And a display processing device according to one aspect of the present invention.
  • a display processing method is a display processing method for performing display processing using a display unit, and each of acquiring a plurality of mass spectrum data for a plurality of measurement points of a sample.
  • Generating intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to a constant mass-to-charge ratio in a plurality of mass spectrum data, and a plurality of intensity distributions generated corresponding to the plurality of mass-to-charge ratios A step of storing data, a step of accepting designation of one of a plurality of classification criteria for classifying each intensity distribution data into one of a plurality of groups, and storing based on the designated classification criteria Classifying each classified intensity distribution data into one of a plurality of groups and a plurality of classified intensity distribution data as a plurality of intensity distribution images And comprising a step of displaying on the display unit by dividing each group.
  • this display processing method even if the number of intensity distribution images is enormous, a plurality of intensity distribution images are classified in a grouped state based on a desired classification criterion and are displayed on the display unit. Is displayed. Thus, the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
  • a desired intensity distribution image can be efficiently found from a plurality of intensity distribution images.
  • FIG. 1 is a block diagram showing a configuration of an imaging mass spectrometry system provided with a display processing apparatus according to an embodiment of the present invention.
  • FIG. 2 is a diagram for explaining a method of generating an intensity distribution image based on the intensity distribution data generated by the generation unit of FIG.
  • FIG. 3 is a diagram showing an example of the display screen of the display unit of FIG.
  • FIG. 4 is a diagram showing an example of a display screen when the main category is selected.
  • FIG. 5 is a diagram showing an example of a display screen when the main category is selected.
  • FIG. 6 is a diagram illustrating an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 7 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 8 is a diagram illustrating an example of a display screen when a subcategory and a logical product are further selected.
  • FIG. 9 is a diagram illustrating an example of a display screen when a subcategory and a logical product are further selected.
  • FIG. 10 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 11 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 12 is a diagram showing an example of a display screen when a subcategory and a logical sum are further selected.
  • FIG. 13 is a diagram showing an example of a display screen when a subcategory and a logical sum are further selected.
  • FIG. 10 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 11 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 14 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 15 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 16 is a flowchart showing an algorithm of display processing performed by the display processing program.
  • FIG. 17 is a flowchart showing the classification algorithm based on the subcategory in step S7 of FIG.
  • FIG. 1 is a block diagram showing a configuration of an imaging mass spectrometry system provided with a display processing apparatus according to an embodiment of the present invention.
  • the imaging mass spectrometry system 100 includes a display processing device 10, an imaging mass analysis unit 20, an operation unit 30 and a display unit 40.
  • the imaging mass spectrometer 20 includes a laser beam irradiator, an ion trap, a time-of-flight mass analyzer, and an ion detector.
  • the laser beam irradiation unit irradiates an arbitrary part of the sample with the laser beam.
  • the ion trap holds ions generated by laser light irradiation.
  • the time-of-flight mass analyzer separates the retained ions according to the mass to charge ratio.
  • the ion detector detects the intensity value of the separated ions.
  • the value of the output signal of the ion detector is the signal intensity value, and the signal intensity value corresponds to the ion intensity value.
  • the imaging mass spectrometer 20 generates mass spectrum data for a plurality of measurement points in a desired two-dimensional region of the sample.
  • Each mass spectrum data is data indicating a relationship between a mass-to-charge ratio (m / z) and a signal intensity value (ion intensity value) in a predetermined range of the mass-to-charge ratio at each measurement point.
  • the operation unit 30 includes, for example, a pointing device such as a mouse and a keyboard, and is operated by a user to give an instruction to the display processing device 10.
  • the display unit 40 includes, for example, an LCD (liquid crystal display) panel or an organic EL (electroluminescence) panel, and displays an intensity distribution image based on a plurality of mass spectrum data.
  • the intensity distribution image is an image showing a two-dimensional distribution of signal intensity values corresponding to an arbitrary mass-to-charge ratio.
  • the signal intensity value corresponds to the ion intensity value.
  • a plurality of pixels constituting the intensity distribution image correspond to a plurality of measurement points, and a signal intensity value corresponding to each pixel is represented by, for example, color shading. A method for generating the intensity distribution image will be described later.
  • the display processing device 10 is realized by, for example, a personal computer and a display processing program.
  • the personal computer includes a CPU (Central Processing Unit), a RAM (Random Access Memory), a ROM (Read Only Memory), a storage device, and the like.
  • the display processing device 10 includes an acquisition unit 11, a generation unit 12, a storage unit 13, a classification reference reception unit 14, a classification unit 15, a group reception unit 16, an extraction unit 17, and a display control unit 18.
  • the functions of the components (11 to 18) in FIG. 1 are realized by the CPU of the personal computer executing a display processing program stored in a storage medium (recording medium) such as a ROM or a storage device. Note that some or all of the components (11 to 18) in FIG. 1 may be configured by hardware such as an electronic circuit.
  • the acquisition unit 11 acquires mass spectrum data for a plurality of measurement points of the sample generated by the imaging mass analysis unit 20.
  • the generation unit 12 generates intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to a mass-to-charge ratio designated based on a plurality of mass spectrum data acquired by the acquisition unit 11 for each measurement of each sample.
  • the storage unit 13 stores a plurality of intensity distribution data generated by the generation unit 12 corresponding to a plurality of mass to charge ratios. In this case, regardless of whether the samples used for the measurement are the same sample or different samples, one or a plurality of intensity distribution data generated for each measurement of the sample is stored as a data file. Each data file is given unique identification information such as a file number or a file name.
  • the intensity distribution data When the intensity distribution data is generated with a signal intensity value corresponding to the mass to charge ratio value of a specific compound, the intensity distribution data includes information indicating the type of compound or the mass to charge ratio value.
  • the intensity distribution data When the intensity distribution data is generated with a signal intensity value corresponding to a peak appearing due to a specific compound, the intensity distribution data includes information indicating the type of peak appearing due to the specific compound.
  • the peak that appears due to a specific compound is, for example, a fragment peak, an isotope peak, an adduct ion peak, or a multimeric peak.
  • Each intensity distribution data may include information indicating the neutral loss of a specific compound.
  • each intensity distribution data when a matrix is used for measurement of the sample, each intensity distribution data includes information indicating the type of the matrix.
  • the classification criterion receiving unit 14 is configured to select one of the plurality of classification criteria for classifying (grouping) each intensity distribution data into one of a plurality of groups based on the operation of the operation unit 30 by the user.
  • Classification criteria include, for example, data file identification information, mass-to-charge ratio values that specify the type of compound in the sample, the type of matrix used in the measurement, the type of peak that appears due to the same compound in the sample, And neutral loss of the same compound.
  • the types of peaks that appear due to the same compound in the sample include, for example, a fragment peak, an isotope peak, an adduct ion peak, and a multimer peak.
  • the classification standard accepting unit 14 can accept designation of a plurality of (two in the present embodiment) classification standards.
  • the classification standard accepted first is called a main category, and the classification standard accepted thereafter is called a subcategory.
  • the classification reference receiving unit 14 further receives logic (logical operation) for specifying the relationship between the main category and the subcategory.
  • Logic includes logical product (AND) and logical sum (OR).
  • the classification unit 15 classifies each intensity distribution data stored in the storage unit 13 into one of a plurality of groups based on the designated main category when the main category is designated by the classification reference receiving unit 14. To do. Further, when the subcategory and logic are further designated by the classification reference accepting unit 14, further classification of each intensity distribution data for each group is performed based on the designated subcategory and logic. As a result, the classification methods that can be specified by the user are diversified, and the degree of freedom of classification of groups of each intensity distribution data can be improved.
  • the classification unit 15 classifies the intensity distribution data classified into each group of the main category into any of a plurality of subcategories within the group. To do.
  • the plurality of intensity distribution data are classified into a plurality of groups subdivided by a combination of the main category and the subcategory.
  • the classification unit 15 further classifies each intensity distribution data stored in the storage unit 13 into one of a plurality of groups of subcategories, and the classified groups To the main category group.
  • the plurality of intensity distribution data are classified into a plurality of groups in parallel based on the main category and the subcategory.
  • the group reception unit 16 receives selection of one or more groups among a plurality of groups based on the classification criteria specified by the classification criteria reception unit 14 based on the operation of the operation unit 30 by the user.
  • the group reception unit 16 may receive selection of a group based on both the main category and the sub category, or may accept selection of a group based on only the main category or only the sub category.
  • the extraction unit 17 extracts (filters) a plurality of intensity distribution data belonging to one or a plurality of groups selected by the group reception unit 16 from the intensity distribution data classified into groups by the classification unit 15.
  • the display control unit 18 classifies the plurality of intensity distribution data classified by the classification unit 15 into a plurality of intensity distribution images for each group and causes the display unit 40 to display them. Further, when the extraction unit 17 extracts the intensity distribution data, the display control unit 18 classifies the extracted plurality of intensity distribution data into a plurality of intensity distribution images for each group, and displays the display unit 40. Display.
  • FIG. 2 is a diagram for explaining a method of generating an intensity distribution image based on the intensity distribution data generated by the generation unit 12 of FIG.
  • a plurality of measurement points 3 are set in a desired two-dimensional region 2 on the surface of the sample 1.
  • FIG. 2 illustrates mass spectrum data MSD1, MSD2, and MSD3 corresponding to three measurement points 3 among the mass spectrum data generated for a plurality of measurement points 3 by the imaging mass analyzer 20 of FIG.
  • the ion intensity values at a constant mass-to-charge ratio m / z value M are I1, I2, and I3, respectively.
  • the generation unit 12 converts the ion intensity value corresponding to the value M of the mass-to-charge ratio m / z at each measurement point 3 into, for example, a data value indicating color shading, and converts the converted data value on each sample 1
  • the measurement points 3 are arranged in association with the two-dimensional positions. Thereby, intensity distribution data is generated. Based on the generated intensity distribution data, an intensity distribution image can be displayed on the display unit 40 of FIG. In the example of FIG. 2, the color density in the intensity distribution image IDI is indicated by a plurality of dot patterns and hatching patterns. The same applies to the intensity distribution images shown below.
  • FIG. 3 is a diagram illustrating an example of a display screen of the display unit 40 in FIG.
  • pull-down menus 42a, 42b, and 42c for grouping are displayed on the display screen 41 of the display unit 40.
  • the user can designate the main category, subcategory, and logic type by operating the pull-down menus 42a to 42c using the operation unit 30 of FIG.
  • check boxes having similar functions may be displayed instead of the pull-down menus 42a to 42c. The same applies to pull-down menus 43a and 43b described later.
  • FIG. 4 and 5 are diagrams showing examples of display screens when the main category is selected.
  • the user operates the pull-down menu 42a to select a desired main category from the pull-down menu 42a.
  • “data file” file number
  • “m / z” mass-to-charge ratio”
  • “matrix”, “fragment”, “isotope”, “adduct ion”, “neutral loss” or “multimer” Can be selected as the main category.
  • “m / z” is selected as the main category, and no subcategory is selected.
  • the intensity distribution data corresponding to the same “m / z” is classified into the same group.
  • the plurality of classified intensity distribution data are displayed as a plurality of intensity distribution images that are divided into groups and arranged on the display screen 41.
  • a plurality of intensity distribution data whose “m / z” is “100”, “200”, “300”, and “400” are classified into groups G1, G2, G3, and G4, respectively.
  • the display areas of the intensity distribution images belonging to the groups G1 to G4 are arranged so as to be aligned in the vertical direction of the display screen 41.
  • a plurality of intensity distribution images corresponding to the classified intensity distribution data are displayed so as to be arranged in the horizontal direction.
  • pull-down menus 43a and 43b for performing filtering are further displayed on the display screen 41.
  • the user can specify a value or type as an extraction criterion for the selected main category by operating the pull-down menu 43a using the operation unit 30.
  • the pull-down menu will be described later. 5 and FIG. 6 and FIG. 7 to be described later, the subcategory is not specified, so that the pull-down menus 42b, 42c, and 43b may not be displayed on the display screen 41.
  • FIG. 6 and 7 are diagrams showing examples of display screens when filtering is performed after the grouping in FIG.
  • the user operates the pull-down menu 43a to select a value or type as an extraction criterion for the selected main category from the pull-down menu 43a.
  • a value or type as an extraction criterion for the selected main category from the pull-down menu 43a.
  • “100”, “200”, “300”, “400”, or the like can be selected as a value as an extraction criterion for “m / z”.
  • the values “200” and “300” that are the extraction criteria for “m / z” are selected.
  • a plurality of intensity distribution data whose “m / z” is “200” or “300” is extracted.
  • Each of the images is divided into groups as a plurality of intensity distribution images and displayed on the display screen 41.
  • FIG. 7 only the intensity distribution images belonging to the groups G2 and G3 respectively corresponding to “200” and “300” of “m / z” are displayed in the display area.
  • FIGS. 8 and 9 are diagrams illustrating an example of a display screen when a subcategory and a logical product are further selected.
  • the user operates the pull-down menu 42b to select the desired subcategory type from the pull-down menu 42a.
  • “data file”, “matrix”, “fragment”, “isotope”, “adduct ion”, “neutral loss” or “multimer” are excluded from the main category “m / z”. Can be selected.
  • the user operates the pull-down menu 42c to select the logic type from the pull-down menu 42c.
  • “AND” logical product
  • “OR” logical sum
  • “data file” and “AND” are selected as the subcategory and logic, respectively.
  • the intensity distribution data corresponding to the same “m / z” is further classified into groups for each “data file”, and as shown in FIG.
  • the intensity distribution data is displayed as being divided into groups as a plurality of intensity distribution images and arranged on the display screen 41.
  • the display areas of the groups G1 to G4 in FIG. 9 are the same as the display areas of the groups G1 to G4 in FIG.
  • a plurality of intensity distribution data whose file numbers are “F1”, “F2”, and “F3” are group G11, They are classified into G12 and G13, respectively.
  • a plurality of sub display areas respectively corresponding to the plurality of groups G11, G12, and G13 are provided in the horizontal direction.
  • a plurality of intensity distribution images corresponding to the classified intensity distribution data are displayed so as to be arranged in the horizontal direction.
  • a plurality of intensity distribution data whose file numbers are “F1”, “F2”, and “F3” are classified into groups G21, G22, and G23, respectively.
  • a plurality of intensity distribution data whose file numbers are “F1”, “F2” and “F3” are classified into groups G31, G32 and G33, respectively.
  • a plurality of intensity distribution data whose file numbers are “F1”, “F2”, and “F3” are classified into groups G41, G42, and G43, respectively.
  • the display mode of the sub display area in each of the groups G2 to G4 is the same as the display mode of the sub display area in the group G1.
  • FIGS. 10 and 11 are diagrams illustrating an example of a display screen when filtering is performed after the grouping in FIG.
  • the operation content of the pull-down menu 43a in FIG. 10 is the same as the operation content of the pull-down menu 43a in FIG.
  • the user further operates the pull-down menu 43b to select a value or type as an extraction criterion for the selected subcategory from the pull-down menu 43b.
  • the file number “F1”, “F2”, “F3”, “F4”, or the like can be selected, for example, as the type serving as the extraction criterion for “file data”.
  • values “200” and “300” that are extraction criteria for “m / z” are selected, and types “F2” and “F3” that are extraction criteria for “file data” are selected.
  • the In this state by performing the determination operation, a plurality of intensity distribution data whose “m / z” is “200” or “300” and whose “file data” is “F2” or “F3” are extracted. .
  • the extracted intensity distribution data is displayed as a plurality of intensity distribution images divided into groups and arranged on the display screen 41.
  • FIGS. 12 and 13 are diagrams illustrating an example of a display screen when a subcategory and a logical sum are further selected.
  • “fragment” is selected as the main category from the pull-down menu 42a.
  • “Adduct ion” is selected as a subcategory from the pull-down menu 42b.
  • “OR” is selected as the logic from the pull-down menu 42c.
  • the intensity distribution data corresponding to the same “fragment” is classified into the same group, and the intensity distribution data corresponding to the same “adduct ion” is classified into the same group.
  • the grouped “adduct ion” group is added to the “fragment” group corresponding to the same compound.
  • the plurality of classified intensity distribution data are displayed as a plurality of intensity distribution images that are divided into groups and arranged on the display screen 41.
  • groups G100, G200, G300, and G400 are provided corresponding to the first to fourth compounds, respectively.
  • the display areas of the intensity distribution images belonging to the groups G100 to G400 are arranged so as to be aligned in the vertical direction of the display screen 41.
  • a plurality of intensity distribution data groups G102 whose “adduct ions” are “ad1” are added to a plurality of intensity distribution data groups G101 whose “fragments” are “fr1”. Is done.
  • a plurality of sub display areas respectively corresponding to the plurality of groups G101 and G102 are provided so as to be arranged in the horizontal direction.
  • a plurality of intensity distribution images corresponding to the classified intensity distribution data are displayed so as to be arranged in the horizontal direction.
  • a plurality of intensity distribution data groups G202 whose “adduct ions” are “ad2” are added to a plurality of intensity distribution data groups G201 whose “fragments” are “fr2”.
  • a plurality of intensity distribution data groups G302 whose “adduct ions” are “ad3” are added to a plurality of intensity distribution data groups G301 whose “fragment” is “fr3”.
  • a plurality of intensity distribution data groups G402 whose “adduct ions” are “ad4” are added to a plurality of intensity distribution data groups G401 whose “fragment” is “fr4”.
  • the display mode of the sub display area in each of the groups G200 to G400 is the same as the display mode of the sub display area in the group G100.
  • FIG. 14 and FIG. 15 are diagrams illustrating an example of a display screen when filtering is performed after the grouping of FIG.
  • “fr1”, “fr2”, “fr3”, “fr4”, and the like can be selected from the pull-down menu 43a as the types that serve as extraction criteria for “fragment”.
  • “ad1”, “ad2”, “ad3”, “ad4”, and the like can be selected from the pull-down menu 43b as the types of extraction criteria for “adduct ions”.
  • types “fr2” and “fr3” that are extraction criteria for “fragment” are selected, and types “ad1” and “ad3” that are extraction criteria for “adduct ions” are selected.
  • a plurality of intensity distribution data whose “fragment” is “fr2” or “fr3” is extracted, and a plurality of “adduct ions” are “ad1” or “ad3”.
  • Intensity distribution data is extracted.
  • the extracted intensity distribution data is displayed as being divided into groups as a plurality of intensity distribution images and arranged on the display screen 41.
  • FIG. 16 is a flowchart showing an algorithm of display processing performed by the display processing program.
  • the acquisition unit 11 acquires mass spectrum data for a plurality of measurement points of the sample from the imaging mass spectrometry unit 20 (step S1).
  • the generation unit 12 generates intensity distribution data based on the plurality of mass spectrum data acquired in step S1 (step S2).
  • the storage unit 13 stores the intensity distribution data generated in step S2 (step S3).
  • the display control unit 18 causes the pull-down menus 42a to 42c of FIG.
  • the classification standard acceptance unit 14 determines whether or not designation of the main category has been accepted (step S5).
  • the user can designate the main category by operating the pull-down menu 42a using the operation unit 30 and performing a determination operation.
  • the classification reference acceptance unit 14 waits until the designation of the main category is accepted.
  • the classification criterion accepting unit 14 determines whether or not the subcategory and logic are designated (Step S6).
  • the user can designate the subcategory and logic by operating the pull-down menus 42b and 42c before the determination operation in step S5.
  • classification based on a subcategory described later is executed (step S7), and the display control unit 18 ends the display process.
  • the classification unit 15 classifies the intensity distribution data stored in step S3 into a group based on the main category received in step S5 (step S8).
  • the display control unit 18 classifies the intensity distribution data intensity distribution images classified in step S8 into groups and displays them on the display unit 40 (step S9). Further, the display control unit 18 displays the pull-down menu 43a of FIG. 5 on the display unit 40 (step S10).
  • the group receiving unit 16 determines whether a value or type designation has been received as an extraction criterion for the main category (step S11).
  • the user can specify the extraction criteria for the main category by operating the pull-down menu 43a using the operation unit 30 and performing a determination operation.
  • the display control unit 18 ends the display process.
  • the extraction unit 17 extracts the intensity distribution data of the group corresponding to the accepted extraction criterion from the respective intensity distribution data classified into groups in step S8. (Step S12).
  • the display control unit 18 classifies the intensity distribution image based on the intensity distribution data extracted in step S12 for each group and displays it on the display unit 40 (step S13), and ends the display process.
  • FIG. 17 is a flowchart showing a classification algorithm based on the subcategory in step S7 of FIG.
  • the classification criterion receiving unit 14 determines whether or not a logical product has been designated as a logic (step S21). If the logical product has been designated, the classification unit 15 classifies the intensity distribution data stored in step S3 into one of the groups based on the main category received in step S5, similarly to step S8 (step S22). ). Further, the classification unit 15 further classifies the intensity distribution data classified in step S22 into any of the groups based on the subcategory designated in step S6 (step S23).
  • the classification unit 15 receives the intensity distribution data stored in step S3 in step S5 as in step S8. It classify
  • step S23 or step S26 the display control unit 18 classifies the intensity distribution image of the intensity distribution data classified in step S23 or step S26 into groups and displays them on the display unit 40 (step S27). Further, the display control unit 18 displays the pull-down menus 43a and 43b in FIG. 5 on the display unit 40 (step S28).
  • the group receiving unit 16 determines whether a value or type designation has been received as an extraction criterion for the main category or subcategory (step S29).
  • the user can designate the extraction criteria for the main category and the sub category by operating the pull-down menus 43a and 43b using the operation unit 30 and performing the determination operation.
  • the display control unit 18 ends the classification based on the sub category.
  • the extraction unit 17 extracts the extraction criteria for the accepted main category or subcategory from the respective intensity distribution data classified into groups in step S23 or step S26.
  • the intensity distribution data of the group corresponding to is extracted (step S30).
  • the display control unit 18 divides the intensity distribution image based on the intensity distribution data extracted in step S30 into groups and displays them on the display unit 40 (step S31), and ends the display process.
  • any of the processes in steps S9 and S10 may be executed first or at the same time.
  • either of the processes of steps S24 and S25 may be executed first or may be executed simultaneously.
  • either of the processes in steps S27 and S28 may be executed first or at the same time.
  • the classification standard receiving unit 14 receives designation of any one of the plurality of classification standards.
  • Each intensity distribution data is classified into one of a plurality of groups by the classification unit 15 based on the classification standard designated by the classification standard receiving unit 14.
  • the plurality of classified intensity distribution data are classified into groups as a plurality of intensity distribution images and displayed on the display unit 40.
  • a plurality of intensity distribution images are displayed in the display unit 40 in a state where they are arranged for each group classified based on a desired classification standard.
  • the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
  • a plurality of intensity distribution data belonging to the selected group are extracted by the extraction unit 17.
  • the extracted plurality of intensity distribution data is displayed as a plurality of intensity distribution images for each group and displayed on the display unit 40.
  • only the intensity distribution images belonging to the desired group can be displayed on the display unit 40, and the intensity distribution images belonging to other unnecessary groups can be hidden.
  • the user can more efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.

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Abstract

Selon la présente invention, une pluralité d'éléments de données de spectre de masse concernant une pluralité de points de mesure d'un échantillon sont acquis par une unité d'acquisition. À partir de la pluralité d'éléments de données de spectre de masse acquises, des données de distribution d'intensité, qui indiquent la distribution bidimensionnelle de valeurs d'intensité de signal correspondant à des rapports de charge de masse arbitraires, sont générées par une unité de génération. Une pluralité d'éléments de données de distribution d'intensité générées correspondant à une pluralité de rapports de charge de masse sont stockés dans une unité de stockage. La désignation d'une quelconque norme de classification, parmi une pluralité de normes de classification, est reçue par une unité de réception de norme de classification. Sur la base de la norme de classification désignée, chaque élément de données de distribution d'intensité stockées dans l'unité de stockage est classé dans n'importe lequel d'une pluralité de groupes par unité de classification. La pluralité d'éléments de données de distribution d'intensité classifiées sont distinguées, pour chaque groupe, sous la forme d'une pluralité d'images de distribution d'intensité, et sont affichées sur une unité d'affichage.
PCT/JP2018/036951 2018-02-05 2018-10-02 Dispositif de traitement d'affichage, système de spectrométrie de masse d'imagerie et procédé de traitement d'affichage WO2019150653A1 (fr)

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