Analysis data processing method and device

Patent metadata

Field	Value
Publication number	US-10896813-B2
Application number	US-201415538685-A
Country	US
Kind code	B2
Filing date	Dec 22, 2014
Priority date	Dec 22, 2014
Publication date	Jan 19, 2021
Grant date	Jan 19, 2021

Abstract

When conducting imaging mass analysis for a region to be measured on a sample, an individual reference value calculating part obtains a maximum value in P i /I i of respective measuring points, and stores the value together with measured data as an individual reference value. When performing comparison analysis for a plurality of the data obtained from different samples, a common reference value determining part reads out corresponding a plurality of the individual reference values and determines a minimum value as a common reference value Fmin. A normalization calculation processing part normalizes the respective intensity values by multiplying the intensity values read out from an external memory device by a normalization coefficient long_Max×(Fmin/P i ) obtained from the common reference value Fmin, TIC values Pi at the respective measuring points, and a maximum allowable value long_Max of a variable storing the intensity values at the time of operation.

First claim

The invention claimed is:

1. An analytical data processing method that handles a spectrum data set including spectrum data collected by performing predetermined analyses respectively on a plurality of measuring points in a predetermined region to be measured set on a sample and indicating a relationship between a predetermined parameter and a signal intensity value, being associated with spatial position information of the measuring points, the method comprising: for a plurality of the spectrum data sets different from each other obtained from an analyzing device,
a) an individual reference value acquiring step for obtaining a maximum reference value at which intensity values after normalization do not exceed a predetermined allowable value when normalizing the intensity values for all or part of parameter values in spectrum data at respective measuring points for each of the spectrum data sets;
b) a common reference value selecting step for selecting a minimum reference value from a plurality of the reference values obtained in the individual reference value acquiring step as a common reference value or setting a value smaller than the minimum value as the common reference value for all the spectrum data sets; and
c) a computer-implemented normalization executing step for normalizing the intensity values for all or part of the parameter values in the spectrum data contained in each of the spectrum data sets based on the common reference value selected in the common reference value selecting step, wherein normalization based on the common reference value selected in the common reference value selecting step reduces normalization operation time of said computer by avoiding overflow of data during the computer-implemented normalization executing step and minimizes round-off errors to improve accuracy of normalization of the intensity values by said computer among the different spectrum data sets.

2. The analytical data processing method according to claim 1 , wherein the predetermined allowable value is a maximum possible value that a variable storing the intensity values can take when executing a normalization operation in the normalization executing step.

3. The analytical data processing method according to claim 1 , wherein acquisition of the reference value for each of the spectrum data sets in the individual reference value acquiring step is performed when the spectrum data included in the spectrum data set are collected by executing the predetermined analyses for the plurality of measuring points in the predetermined region to be measured.

4. The analytical data processing method according to claim 1 , wherein in the common reference value selecting step, the plurality of reference values acquired in the individual reference value acquiring step for all the spectrum data sets are presented to a user and a value according to a user instruction based on presented information is set as the common reference value.

5. The mass analytical data processing method according to claim 1 , wherein the spectrum data is mass spectrum data which indicates a relationship between a mass charge ratio and an ion intensity value.

6. An analytical data processing method that handles a spectrum data set including spectrum data collected by performing predetermined analyses respectively on a plurality of measuring points in a predetermined region to be measured set on a sample and indicating a relationship between a predetermined parameter and a signal intensity value, being associated with spatial position information of the measuring points, the method comprising: for a plurality of the spectrum data sets different from each other obtained from an analyzing device,
a) an individual reference value acquiring step for obtaining a value at which a ratio between an integrated value for an intensity value and a maximum intensity value for all or part of parameter values in the spectrum data at one measuring point becomes the largest among those at all the measuring points as a reference value for normalization for each of the spectrum data sets;
b) a common reference value selecting step for selecting a minimum reference value from a plurality of the reference values obtained in the individual reference value acquiring step as a common reference value or setting a value smaller than the minimum value as the common reference value for all the spectrum data sets; and
c) a computer-implemented normalization executing step for normalizing the intensity values for all or part of the parameter values in the spectrum data included in each of the spectrum data sets so that the intensity values after normalization do not exceed a predetermined allowable value based on the common reference value selected in the common reference value selecting step, wherein normalization based on the common reference value selected in the common reference value selecting step reduces normalization operation time of said computer by avoiding overflow of data during the computer-implemented normalization executing step and minimizes round-off errors to improve accuracy of normalization of the intensity value by said computer among the different spectrum data sets.

7. The analytical data processing method according to claim 6 , wherein the predetermined allowable value is the maximum possible value that a variable storing the intensity values can take when executing the normalization operation in the normalization executing step.

8. The analytical data processing method according to claim 6 , wherein acquisition of the reference value for each of the spectrum data sets in the individual reference value acquiring step is performed when the spectrum data included in the spectrum data set is collected by executing the predetermined analyses for the plurality of measuring points in the predetermined region to be measured.

9. The analytical data processing method according to claim 6 , wherein in the common reference value selecting step, a plurality of reference values acquired in the individual reference value acquiring step for all the spectrum data sets are presented to a user and a value according to a user instruction based on presented information is set as the common reference value.

10. The mass analysis analytical data processing method according to claim 6 , wherein the spectrum data is mass spectrum data which indicates a relationship between a mass charge ratio and an ion intensity values.

11. An analytical data processing apparatus that handles a spectrum data set including spectrum data collected by performing predetermined analyses respectively on a plurality of measuring points in a predetermined region to be measured set on a sample and indicating a relationship between a predetermined parameter and a signal intensity value, being associated with spatial position information of the measuring points, the apparatus comprising: for a plurality of the spectrum data sets different from each other,
a) an individual reference value acquiring part configured to obtain a maximum reference value at which the intensity values after a normalization do not exceed a predetermined allowable value when normalizing intensity values for all or part of parameter values in the spectrum data at the respective measuring points for each of the spectrum data sets;
b) a common reference value selecting part configured to select a minimum reference value from a plurality of the reference values obtained by the individual reference value acquiring part as a common reference value or setting a value smaller than the minimum value as the common reference value for all the spectrum data sets; and
c) a normalization executing part configured to normalize the intensity values for

Assignees

• Shimadzu Corp

Inventors

• Ikegami Masahiro
• Kajihara Shigeki

Classifications

• G06F2218/02

  Preprocessing · CPC title

• H01J49/0036 Primary

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

• 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

• G06V20/695

  Preprocessing, e.g. image segmentation · CPC title