Mass spectrometry data processing program

Patent metadata

Field	Value
Publication number	US-11348775-B2
Application number	US-201817059702-A
Country	US
Kind code	B2
Filing date	Jun 1, 2018
Priority date	Jun 1, 2018
Publication date	May 31, 2022
Grant date	May 31, 2022

Abstract

A mass spectrometric data processing program that processes mass spectrometric data causes a data processor including a computer to execute a data conversion process in which representative value data, which is representative value data including a data set of a representative value of mass-to-charge ratio information and an ion intensity with respect to the representative value, is converted into profile data, which is ion intensity data with respect to the mass-to-charge ratio information.

First claim

The invention claimed is:

1. A non-transitory computer readable medium including a mass spectrometric data processing program that processes mass spectrometric data, the mass spectrometric data processing program causing a data processor including a computer to:
execute a data conversion process in which representative value data, which is representative value data including a data set of a representative value of mass-to-charge ratio information and an ion intensity with respect to the representative value, is converted into profile data, which is ion intensity data with respect to the mass-to-charge ratio information;
determine whether the mass spectrometric data is the representative value data;
if the mass spectrometric data is the representative value data, load a notation format of the representative value;
determine the conversion condition based on the loaded notation format; and
convert the representative value data into the profile data based on the determined conversion condition.

2. The non-transitory computer readable medium including the mass spectrometric data processing program according to claim 1 , wherein:
when the data processor converts the representative value data into the profile data, at least one of pieces of information corresponding to a type of the representative value data, a type of data representing the ion intensity, a detection principle of the mass spectrometry device that acquired the mass spectrometric data, and a resolution of the mass spectrometry device that acquired the mass spectrometric data is loaded as processing information for determining the conversion process, and a conversion condition is determined based on the loaded processing information.

3. The non-transitory computer readable medium including the mass spectrometric data processing program according to claim 2 , causing the data processor to:
load the at least one piece of information from the mass spectrometric data; and
determine the conversion condition based on the at least one piece of information.

4. The non-transitory computer readable medium including the mass spectrometric data processing program according to claim 1 , causing the data processor to:
determine whether the mass spectrometric data is the representative value data;
if the mass spectrometric data is the representative value data, determine whether processing information for determining a conversion process in the data conversion process is included; and
if it is determined that the processing information is included, determine a conversion condition of the conversion process based on the processing information.

5. A non-transitory computer readable medium including a mass spectrometric data processing program that processes mass spectrometric data, the mass spectrometric data processing program causing a data processor including a computer to:
execute a data conversion process in which representative value data, which is representative value data including a data set of a representative value of mass-to-charge ratio information and an ion intensity with respect to the representative value, is converted into profile data, which is ion intensity data with respect to the mass-to-charge ratio information;
display a message on a display device, the message prompting the user to input the at least one piece of information;
load the at least one piece of information input to an input unit by the user; and
determine the conversion condition based on the at least one piece of information, wherein:
when the data processor converts the representative value data into the profile data, at least one of pieces of information corresponding to a type of the representative value data, a type of data representing the ion intensity, a detection principle of the mass spectrometry device that acquired the mass spectrometric data, and a resolution of the mass spectrometry device that acquired the mass spectrometric data is loaded as processing information for determining the conversion process, and a conversion condition is determined based on the loaded processing information and the at least one piece of information.

Assignees

• Shimadzu Corp

Inventors

• Ikegami Masahiro

Classifications

• G03F3/00

  Colour separation; Correction of tonal value (photographic copying apparatus in general G03B) · CPC title

• H01J49/0036 Primary

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

• G01R23/15

  Indicating that frequency of pulses is either above or below a predetermined value or within or outside a predetermined range of values, by making use of non-linear or digital elements {(indicating that pulse width is above or below a certain limit)} · CPC title