Instrumental analysis data processing method and device

Patent metadata

Field	Value
Publication number	US-2021210319-A1
Application number	US-201817059717-A
Country	US
Kind code	A1
Filing date	Jun 1, 2018
Priority date	Jun 1, 2018
Publication date	Jul 8, 2021
Grant date	—

Abstract

After setting an intensity value equal to or lower than a predetermined level in mass spectrum data as invalid data, an uncompressed data array in which intensity values are arrayed in the order of m/z is divided into blocks per predetermined number of pieces of data. When significant intensity values are consecutive in order from the start of each block, this consecutive number and the respective intensity values are used as data for compression. When invalid data is consecutive, this consecutive number is used as data for compression. Then, sequence numbers of data at the start of each block after compression are collected to create an index and the index is stored together with the compressed data.

First claim

1 . An instrumental analysis data processing method of compressing measurement data which is a one-dimensional array of intensity values for a plurality of values of a predetermined parameter obtained by instrumental analysis, the instrumental analysis data processing method comprising:
a) a data division step of dividing the array of the measurement data into blocks per predetermined number of pieces of data; b) an array conversion step of obtaining a compressed data array in each block by, when one or more intensity values at a predetermined invalid level are consecutive according to an array order of measurement data included in the block, replacing the intensity values collectively with a number of the consecutive intensity values for each block, and performing a switched run-length encoding when an intensity value at a significant level other than the invalid level appears; and c) an index creation step of creating an index by collecting information on sequence numbers indicating positions of start data of the respective blocks on an one-dimensional array, which is an array of the compressed data of the blocks, and storing the index in association with the one-dimensional array.

2 . The instrumental analysis data processing method according to claim 1 , wherein
the instrumental analysis is mass spectrometry, the predetermined parameter is a mass-to-charge ratio, and the measurement data is data constituting a mass spectrum.

3 . The instrumental analysis data processing method according to claim 1 ,
the instrumental analysis data processing method of processing compressed data obtained by compression through processing in each step of the data division step, the array conversion step, and the index creation step, in order to obtain an intensity value at a specific parameter value from the compressed data, the instrumental analysis data processing method further comprising: d) a block identification step of referring to the index to identify a block including information obtained by compressing uncompressed data corresponding to a sequence number of data at the specific parameter value as a target and obtaining information on a start data position of the block; e) a consecutive number identification step of acquiring and sequentially adding information on a number of consecutive intensity values at a significant level and a number of consecutive intensity values at an invalid level in order from a start of an array of compressed data corresponding to the identified block, and identifying a consecutive number when a result of the addition matches the sequence number corresponding to the specific parameter value as the target or a consecutive number immediately before the addition result exceeds the sequence number; and f) an intensity value search step of outputting information indicating the invalid level, or a specific intensity value associated with the invalid level, as the intensity value at the specific parameter value when the consecutive number identified in the consecutive number identification step is the number of consecutive intensity values at the invalid level, and finding and outputting an intensity value of the sequence number from among intensity values between data indicating the consecutive number on the compressed data array and data indicating a consecutive number appearing next as the intensity value at the specific parameter value when the identified consecutive number is the number of consecutive intensity values at the significant level.

4 . An instrumental analysis data processing device, configured to compress measurement data which is a one-dimensional array of intensity values for a plurality of values of a predetermined parameter obtained by instrumental analysis, the instrumental analysis data processing device comprising:
a) a data division unit configured to divide the array of the measurement data into blocks per predetermined number of pieces of data; b) an array conversion unit configured to obtain a compressed data array in each block by, when one or more intensity values at a predetermined invalid level are consecutive according to an array order of measurement data included in the block, replacing the intensity values collectively with a number of the consecutive intensity values for each block, and performing a switched run-length encoding when an intensity value at a significant level other than the invalid level appears; and c) an index creation unit configured to create an index by collecting information on sequence numbers indicating positions of start data of the respective blocks on an one-dimensional array, which is an array of the compressed data of the blocks, and store the index in association with the one-dimensional array.

5 . The instrumental analysis data processing device according to claim 4 , wherein
the instrumental analysis is mass spectrometry, the predetermined parameter is a mass-to-charge ratio, and the measurement data is data constituting a mass spectrum.

6 . The instrumental analysis data processing device according to claim 4 ,
the instrumental analysis data processing device configured to process compressed data obtained by compression through processing in each unit of the data division unit, the array conversion unit, and the index creation unit, in order to obtain an intensity value at a specific parameter value from the compressed data, the instrumental analysis data processing device further comprising: d) a block identification unit configured to refer to the index to identify a block including information obtained by compressing uncompressed data corresponding to a sequence number of data at the specific parameter value as a target, and to obtain information on a start data position of the block; e) a consecutive number identification unit configured to acquire and sequentially add information on a number of consecutive intensity values at a significant level and a number of consecutive intensity values at an invalid level in order from a start of an array of compressed data corresponding to the identified block, and to identify a consecutive number when a result of the addition matches the sequence number corresponding to the specific parameter value as the target or a consecutive number when the addition result exceeds the sequence number; and f) an intensity value search unit configured to output information indicating the invalid level, or a specific intensity value associated with the invalid level as the intensity value at the specific parameter value when the consecutive number identified by the consecutive number identification unit is the number of consecutive intensity values at the invalid level, and to find and output an intensity value of the sequence number from among intensity values between data indicating the consecutive number on the compressed data array and data indicating a consecutive number appearing next as the intensity value at the specific parameter value when the identified consecutive number is the number of consecutive intensity values at the significant level.

7 . An instrumental analysis data processing method of processing compressed data obtained by compressing measurement data which is a one-dimensional array of intensity values for a plurality of values of a predetermined parameter obtained by instrumental analysis by, when one or more intensity values at a predetermined invalid level are consecutive according to an array order, replacing the intensity values collectively with a number of the consecutive intensity values, and performing a switched run-length encoding when an intensity value at a significant level other than the invalid level appears, the instrumental analysis data processing method of obtaining an intensity value at a specific parameter value fro

Assignees

• Shimadzu Corp

Inventors

• Ikegami Masahiro

Classifications

• H01J49/0036 Primary

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

• H01J49/0004 Primary

  Imaging particle spectrometry · CPC title

• H01J49/26

  Mass spectrometers or separator tubes · CPC title

• G01N27/62

  by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode · CPC title

• H03M7/46

  Conversion to or from run-length codes, i.e. by representing the number of consecutive digits, or groups of digits, of the same kind by a code word and a digit indicative of that kind · CPC title