WO2023157887A1 - Component evaluation device, component evaluation method, and program - Google Patents

Component evaluation device, component evaluation method, and program Download PDF

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WO2023157887A1
WO2023157887A1 PCT/JP2023/005299 JP2023005299W WO2023157887A1 WO 2023157887 A1 WO2023157887 A1 WO 2023157887A1 JP 2023005299 W JP2023005299 W JP 2023005299W WO 2023157887 A1 WO2023157887 A1 WO 2023157887A1
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degree
component
variation
evaluation value
evaluation
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由佳 ▲高▼瀬
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株式会社アイシン
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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
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/88—Integrated analysis systems specially adapted therefor, not covered by a single one of the groups G01N30/04 - G01N30/86

Definitions

  • the present invention relates to an ingredient evaluation device, an ingredient evaluation method, and a program.
  • gas chromatography analysis results which are capable of qualitative and quantitative analysis of components contained in samples, for the production of fragrances, the detection of harmful gases, etc.
  • a component contained in a sample for example, indoor air, etc.
  • a predetermined event for example, smoking indoors
  • the presence or absence of the specified component is determined in advance.
  • components corresponding to various events can be identified by using the analysis results of gas chromatography. Relevance needs to be assessed.
  • the problem to be solved by the embodiments of the present invention is to provide a component evaluation device, a component evaluation method, and a program that can generate useful information indicating the relationship between the component and the event detected by gas chromatography. .
  • a component evaluation apparatus as an embodiment of the present invention includes an acquisition unit that acquires gas chromatography analysis results including qualitative values and quantitative values of components contained in a sample, and one event based on a plurality of analysis results. a computing unit that calculates the degree of variability in quantitative values of common components commonly contained in a plurality of samples, and calculates an evaluation value that indicates the degree of relevance between the common component and the event based on the degree of variability; an output unit for outputting a value.
  • the evaluation value may increase as the average value of the quantitative values of common components among a plurality of samples increases, and may increase as the degree of variation decreases.
  • calculation unit calculates the following formula (1 ) may be used to calculate the evaluation value.
  • E A 2 /S (1)
  • a component evaluation method as another embodiment of the present invention includes the steps of obtaining gas chromatography analysis results including qualitative values and quantitative values of components contained in a sample, and one event based on a plurality of analysis results.
  • a step of calculating the degree of variation in the quantitative value of a common component commonly contained in a plurality of samples corresponding to and a step of calculating an evaluation value indicating the degree of relevance between the common component and the event based on the degree of variation and a step of outputting the evaluation value.
  • a program as another embodiment of the present invention provides a computer with a process of acquiring gas chromatography analysis results including qualitative values and quantitative values of components contained in a sample, and one analysis result based on a plurality of analysis results.
  • a process and a process of outputting an evaluation value are executed.
  • FIG. 1 is a block diagram showing an example of the configuration of the component evaluation system of the embodiment.
  • FIG. 2 is a block diagram illustrating an example of the hardware configuration of the component evaluation device according to the embodiment;
  • FIG. 3 is a block diagram illustrating an example of the functional configuration of the component evaluation device of the embodiment;
  • FIG. 4 is a diagram showing an example of analysis results and component evaluation information according to the embodiment.
  • FIG. 5 is a diagram illustrating an example of calculating an evaluation value according to the embodiment;
  • FIG. 6 is a flow chart showing an example of processing in the component evaluation device of the embodiment.
  • Exemplary embodiments of the present invention are disclosed below.
  • the configurations of the embodiments shown below and the actions, results, and effects brought about by the configurations are examples.
  • the present invention can be realized by configurations other than those disclosed in the following embodiments, and at least one of various effects and derivative effects based on the basic configuration can be obtained.
  • FIG. 1 is a block diagram showing an example of the configuration of the component evaluation system 1 of the embodiment.
  • a component evaluation system 1 includes a gas chromatograph (GC) 11 and a component evaluation device 12 .
  • GC gas chromatograph
  • the gas chromatograph 11 is a device that performs gas chromatography, which is a method of analyzing components contained in samples.
  • the gas chromatograph 11 is capable of qualitative analysis and quantitative analysis of the components contained in the sample, and the qualitative values (retention time, etc.) corresponding to the component type and the quantitative values (signal intensity, etc.) corresponding to the content of the component. for each sample.
  • samples corresponding to predetermined events are analyzed.
  • An event is the situation under which a sample is taken, which may be, for example, smoking, noxious gas generation, malodor generation, and the like.
  • the component evaluation device 12 generates an evaluation value regarding the relationship between a common component commonly contained in a plurality of samples corresponding to one event and the event, based on a plurality of analysis results generated by the gas chromatograph 11. It is an information processing device that performs processing for
  • FIG. 2 is a block diagram showing an example of the hardware configuration of the component evaluation device 12 of the embodiment.
  • the component evaluation device 12 of this embodiment includes a CPU (Central Processing Unit) 21, a RAM (Random Access Memory) 22, a ROM (Read Only Memory) 23, a storage 24, a communication I/F (Interface) 25, and a user I/F 26. Prepare.
  • CPU Central Processing Unit
  • RAM Random Access Memory
  • ROM Read Only Memory
  • storage 24 a communication I/F (Interface) 25
  • user I/F 26 User I/F
  • the CPU 21 uses the RAM 22 as a work area according to programs stored in the ROM 23 and the storage 24 to execute predetermined arithmetic processing.
  • the storage 24 is a non-volatile memory such as SSD (Solid State Drive) or HDD (Hard Disk Drive), and it is possible to write and read programs, data necessary for the processing of the CPU 21, data generated by the processing of the CPU 21, etc. to
  • the communication I/F 25 is a device for establishing communication with electronic equipment such as the gas chromatograph 11 connected via a predetermined network.
  • the user I/F 26 is a device capable of receiving input from the user, outputting information to the user, etc., and may be, for example, a keyboard, pointing device, touch panel mechanism, display, speaker, microphone, and the like.
  • the CPU 21, RAM 22, ROM 23, storage 24, communication I/F 25 and user I/F 26 are connected via a data bus.
  • the configuration shown in FIG. 2 is an example, and the hardware configuration of the component evaluation device 12 is not limited to the above.
  • the component evaluation device 12 may be configured using, for example, FPGA (Field Programmable Gate Array), ASIC (Application Specific Integrated Circuit), etc., or may be a system in which a plurality of computers operate in cooperation. .
  • FIG. 3 is a block diagram showing an example of the functional configuration of the component evaluation device 12 of the embodiment.
  • the component evaluation device 12 of this embodiment has an acquisition unit 101 , a calculation unit 102 and an output unit 103 .
  • These functional components 101 to 103 can be realized, for example, by cooperation of hardware configuration and programs as shown in FIG. Note that these functional components 101 to 103 may be composed of a plurality of pieces of physically divided hardware.
  • the acquisition unit 101 acquires a plurality of analysis results generated by the gas chromatograph 11.
  • Each of the plurality of analysis results includes qualitative values and quantitative values of components contained in the sample.
  • a plurality of samples corresponding to one event are prepared, and a plurality of analysis results corresponding to each of the plurality of samples are obtained.
  • the calculation unit 102 calculates the degree of variation in quantitative values of common components commonly contained in multiple samples corresponding to one event. Further, the calculation unit 102 calculates an evaluation value indicating the degree of relevance between the common component and the event based on the degree of variation.
  • the evaluation value E is expressed by the following formula (1).
  • the standard deviation S corresponds to an example of the degree of variation.
  • the output unit 103 outputs the evaluation value calculated by the calculation unit 102 .
  • evaluation values There are various output formats for evaluation values, but for example, information in which evaluation values are determined for each of a plurality of common components, information in which each common component is ranked according to the degree of relevance to the event, etc. may be output.
  • methods of using evaluation values for example, identification of components (such as nicotine) that are highly related to a predetermined event (such as when smoking), sensor based on the identification result It can be used for the development of sensors capable of detecting high-precision components with high accuracy.
  • FIG. 4 is a diagram showing an example of analysis results D1 to D4 and component evaluation information I of the embodiment.
  • an example of generating component evaluation information I including evaluation values for each of five common components C1 to C5 based on four analysis results D1 to D4 is conceptually shown.
  • the horizontal axis of each analysis result D1 to D4 corresponds to RT (Retention Time) as a qualitative value
  • the vertical axis corresponds to intensity (signal intensity) as a quantitative value.
  • the horizontal axis of the component evaluation information I corresponds to RT as a qualitative value
  • the vertical axis corresponds to the evaluation value.
  • the four analysis results D1 to D4 are gas chromatography analysis results obtained when different conditions are applied to one event.
  • the analysis result D1 is the analysis result obtained when the brand A is smoked
  • the analysis result D2 is the analysis result obtained when the brand B is smoked
  • the analysis result D3 is the analysis result obtained when the brand C is smoked
  • the analysis result D4 is the analysis result obtained when the brand D is smoked.
  • each of the four brands A to D contains five common components C1 to C5, and the strength (content) of each common component C1 to C5 is different for each brand A to D.
  • the component evaluation information I indicates evaluation values for each of the five common components C1 to C5.
  • the evaluation value of this embodiment is based on the average value of the intensity of the common components C1 to C5 between the four analysis results D1 to D4 and the degree of variation in the intensity of the common components C1 to C5 between the four analysis results D1 to D4. calculated based on
  • FIG. 5 is a diagram showing an example of calculating an evaluation value according to the embodiment.
  • the evaluation value E of each common component C1 to C5 is the average value of the intensity between the four analysis results D1 to D4, and the standard deviation of the intensity between the four analysis results D1 to D4.
  • S it is calculated by the above formula (1).
  • the evaluation value E increases as the average value A increases, and increases as the standard deviation S decreases.
  • the common component for example, common component C2 that shows stable strength (content) even if the conditions (brands) are changed, the relationship with the event (during smoking) It is judged that the sex is relatively high.
  • a common component for example, common component C4 that exhibits a large intensity under certain conditions but has a large degree of variation in intensity as a whole is determined to have relatively low relevance to the event.
  • FIG. 6 is a flow chart showing an example of processing in the component evaluation device 12 of the embodiment.
  • the acquisition unit 101 acquires a plurality of analysis results D1 to D4 (S101)
  • the calculation unit 102 calculates the average value A of the intensities of the common components C1 to C5 (S102), and calculates the standard deviation S of the intensities. (S103).
  • the calculation unit 102 calculates the evaluation value E of each of the common components C1 to C5 using the above formula (1), etc., based on the calculated average value A and standard deviation S (S104).
  • the output unit 103 outputs the calculated evaluation value E in a predetermined format (for example, as the component evaluation information I described above) (S105).
  • the program for realizing the above functions is a file in a format that can be installed in the component evaluation device 12 or in an executable format, and It may be provided by being recorded on a computer-readable recording medium such as.
  • the program may be stored on a computer connected to a network such as the Internet, and provided by being downloaded via the network.
  • the program may be configured to be provided or distributed via a network such as the Internet.

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Abstract

This component evaluation device comprises: an acquisition unit for acquiring a gas chromatography analysis result including qualitative and quantitative values of components contained in a sample; a computation unit for calculating, on the basis of a plurality of analysis results, the degree of variation of the quantitative value of a common component contained in common in a plurality of samples corresponding to one event, and calculating, on the basis of the degree of variation, an evaluation value indicating the degree of association between the common component and the event; and an output unit for outputting the evaluation value.

Description

成分評価装置、成分評価方法及びプログラムComponent evaluation device, component evaluation method and program
　本発明は、成分評価装置、成分評価方法及びプログラムに関する。 The present invention relates to an ingredient evaluation device, an ingredient evaluation method, and a program.
　試料に含まれる成分の定性分析及び定量分析が可能なガスクロマトグラフィの分析結果を香料の製造、有害ガスの検知等に利用する技術がある。また、ガスクロマトグラフィを利用して所定の事象（例えば室内での喫煙等）に対応する試料（例えば室内の空気等）に含まれる成分を予め特定しておき、当該特定された成分の有無を所定のセンサで検出することにより、当該事象が生じているか否かを判定できる。例えば、喫煙が行われている室内の空気に含まれる成分をガスクロマトグラフィにより予め特定しておくことにより、当該特定された成分の有無に基づいて喫煙が行われている否かを判定できる。 There are technologies that use gas chromatography analysis results, which are capable of qualitative and quantitative analysis of components contained in samples, for the production of fragrances, the detection of harmful gases, etc. In addition, a component contained in a sample (for example, indoor air, etc.) corresponding to a predetermined event (for example, smoking indoors) is specified in advance using gas chromatography, and the presence or absence of the specified component is determined in advance. , it is possible to determine whether or not the event has occurred. For example, by specifying components contained in the air in the room where smoking is performed in advance by gas chromatography, it is possible to determine whether or not smoking is performed based on the presence or absence of the specified components.
特開２００４－３２５１１６号公報Japanese Patent Application Laid-Open No. 2004-325116 特表２００４－５０６２１６号公報Japanese Patent Publication No. 2004-506216
　上記のように、ガスクロマトグラフィの分析結果を利用することにより様々な事象に対応する成分を特定できるが、ある事象に対応する試料から複数の成分が検出された場合、各成分と当該事象との関連性を評価する必要がある。 As described above, components corresponding to various events can be identified by using the analysis results of gas chromatography. Relevance needs to be assessed.
　本発明の実施形態が解決しようとする課題は、ガスクロマトグラフィにより検出された成分と事象との関連性を示す有用な情報を生成可能な成分評価装置、成分評価方法及びプログラムを提供することにある。 The problem to be solved by the embodiments of the present invention is to provide a component evaluation device, a component evaluation method, and a program that can generate useful information indicating the relationship between the component and the event detected by gas chromatography. .
　本発明の一実施形態としての成分評価装置は、試料に含まれる成分の定性値及び定量値を含むガスクロマトグラフィの分析結果を取得する取得部と、複数の分析結果に基づいて１つの事象に対応する複数の試料に共通して含まれる共通成分の定量値のばらつき度合いを算出し、ばらつき度合いに基づいて共通成分と事象との関連性の高さを示す評価値を算出する演算部と、評価値を出力する出力部と、を備える。 A component evaluation apparatus as an embodiment of the present invention includes an acquisition unit that acquires gas chromatography analysis results including qualitative values and quantitative values of components contained in a sample, and one event based on a plurality of analysis results. a computing unit that calculates the degree of variability in quantitative values of common components commonly contained in a plurality of samples, and calculates an evaluation value that indicates the degree of relevance between the common component and the event based on the degree of variability; an output unit for outputting a value.
　上記構成によれば、ガスクロマトグラフィにより検出された共通成分と、当該ガスクロマトグラフィに用いられた試料に対応する事象との関連性を示す有用な情報を生成できる。 According to the above configuration, it is possible to generate useful information indicating the relationship between the common component detected by gas chromatography and the event corresponding to the sample used for the gas chromatography.
　また、評価値は、複数の試料間における共通成分の定量値の平均値が大きいほど大きくなり、ばらつき度合いが小さいほど大きくなるものであってもよい。 In addition, the evaluation value may increase as the average value of the quantitative values of common components among a plurality of samples increases, and may increase as the degree of variation decreases.
　これにより、事象との関連性が高い共通成分を適切に特定できる。 This makes it possible to appropriately identify common components that are highly relevant to events.
　また、演算部は、評価値をＥ、複数の試料間における共通成分の定量値の平均値をＡ、複数の試料間における共通成分の定量値の標準偏差をＳとするとき、下記式（１）により評価値を算出してもよい。
　Ｅ＝Ａ２／Ｓ　…（１） Further, the calculation unit calculates the following formula (1 ) may be used to calculate the evaluation value.
E=A 2 /S (1)
　これにより、共通成分と事象との関連性の高さを示す評価値を適切に演算できる。 As a result, it is possible to appropriately calculate an evaluation value that indicates the degree of relevance between common components and events.
　また、本発明の他の実施形態としての成分評価方法は、試料に含まれる成分の定性値及び定量値を含むガスクロマトグラフィの分析結果を取得する工程と、複数の分析結果に基づいて１つの事象に対応する複数の試料に共通して含まれる共通成分の定量値のばらつき度合いを算出する工程と、ばらつき度合いに基づいて共通成分と事象との関連性の高さを示す評価値を算出する工程と、評価値を出力する工程と、を含む。 In addition, a component evaluation method as another embodiment of the present invention includes the steps of obtaining gas chromatography analysis results including qualitative values and quantitative values of components contained in a sample, and one event based on a plurality of analysis results. A step of calculating the degree of variation in the quantitative value of a common component commonly contained in a plurality of samples corresponding to , and a step of calculating an evaluation value indicating the degree of relevance between the common component and the event based on the degree of variation and a step of outputting the evaluation value.
　また、本発明の他の実施形態としてのプログラムは、コンピュータに、試料に含まれる成分の定性値及び定量値を含むガスクロマトグラフィの分析結果を取得する処理と、複数の分析結果に基づいて１つの事象に対応する複数の試料に共通して含まれる共通成分の定量値のばらつき度合いを算出する処理と、ばらつき度合いに基づいて共通成分と事象との関連性の高さを示す評価値を算出する処理と、評価値を出力する処理と、を実行させる。 Further, a program as another embodiment of the present invention provides a computer with a process of acquiring gas chromatography analysis results including qualitative values and quantitative values of components contained in a sample, and one analysis result based on a plurality of analysis results. A process of calculating the degree of variation in quantitative values of common components commonly contained in multiple samples corresponding to an event, and calculating an evaluation value indicating the degree of relevance between the common component and the event based on the degree of variation. A process and a process of outputting an evaluation value are executed.
図１は、実施形態の成分評価システムの構成の一例を示すブロック図である。FIG. 1 is a block diagram showing an example of the configuration of the component evaluation system of the embodiment. 図２は、実施形態の成分評価装置のハードウェア構成の一例を示すブロック図である。FIG. 2 is a block diagram illustrating an example of the hardware configuration of the component evaluation device according to the embodiment; 図３は、実施形態の成分評価装置の機能構成の一例を示すブロック図である。FIG. 3 is a block diagram illustrating an example of the functional configuration of the component evaluation device of the embodiment; 図４は、実施形態の分析結果及び成分評価情報の一例を示す図である。FIG. 4 is a diagram showing an example of analysis results and component evaluation information according to the embodiment. 図５は、実施形態の評価値の算出例を示す図である。FIG. 5 is a diagram illustrating an example of calculating an evaluation value according to the embodiment; 図６は、実施形態の成分評価装置における処理の一例を示すフローチャートである。FIG. 6 is a flow chart showing an example of processing in the component evaluation device of the embodiment.
　以下、本発明の例示的な実施形態が開示される。以下に示される実施形態の構成、並びに当該構成によってもたらされる作用、結果及び効果は一例である。本発明は以下の実施形態に開示される構成以外によっても実現可能であるとともに、基本的な構成に基づく種々の効果や派生的な効果のうち、少なくとも一つを得ることが可能である。 Exemplary embodiments of the present invention are disclosed below. The configurations of the embodiments shown below and the actions, results, and effects brought about by the configurations are examples. The present invention can be realized by configurations other than those disclosed in the following embodiments, and at least one of various effects and derivative effects based on the basic configuration can be obtained.
　図１は、実施形態の成分評価システム１の構成の一例を示すブロック図である。成分評価システム１は、ガスクロマトグラフ（ＧＣ）１１及び成分評価装置１２を含む。 FIG. 1 is a block diagram showing an example of the configuration of the component evaluation system 1 of the embodiment. A component evaluation system 1 includes a gas chromatograph (GC) 11 and a component evaluation device 12 .
　ガスクロマトグラフ１１は、試料に含まれる成分の分析手法であるガスクロマトグラフィを実行する装置である。ガスクロマトグラフ１１は、試料に含まれる成分の定性分析及び定量分析が可能であり、成分の種類に対応する定性値（保持時間等）と成分の含有量に対応する定量値（信号強度等）とを含む分析結果を試料毎に生成する。本実施形態では、所定の事象に対応する試料が分析対象となる。事象とは、試料が採取される状況であり、例えば喫煙時、有害ガス発生時、悪臭発生時等であり得る。 The gas chromatograph 11 is a device that performs gas chromatography, which is a method of analyzing components contained in samples. The gas chromatograph 11 is capable of qualitative analysis and quantitative analysis of the components contained in the sample, and the qualitative values (retention time, etc.) corresponding to the component type and the quantitative values (signal intensity, etc.) corresponding to the content of the component. for each sample. In this embodiment, samples corresponding to predetermined events are analyzed. An event is the situation under which a sample is taken, which may be, for example, smoking, noxious gas generation, malodor generation, and the like.
　成分評価装置１２は、ガスクロマトグラフ１１により生成された複数の分析結果に基づいて、１つの事象に対応する複数の試料に共通して含まれる共通成分と当該事象との関連性に関する評価値を生成するための処理を行う情報処理装置である。 The component evaluation device 12 generates an evaluation value regarding the relationship between a common component commonly contained in a plurality of samples corresponding to one event and the event, based on a plurality of analysis results generated by the gas chromatograph 11. It is an information processing device that performs processing for
　図２は、実施形態の成分評価装置１２のハードウェア構成の一例を示すブロック図である。本実施形態の成分評価装置１２は、ＣＰＵ（Central　Processing　Unit）２１、ＲＡＭ（Random　Access　Memory）２２、ＲＯＭ（Read　Only　Memory）２３、ストレージ２４、通信Ｉ／Ｆ（Interface）２５及びユーザＩ／Ｆ２６を備える。 FIG. 2 is a block diagram showing an example of the hardware configuration of the component evaluation device 12 of the embodiment. The component evaluation device 12 of this embodiment includes a CPU (Central Processing Unit) 21, a RAM (Random Access Memory) 22, a ROM (Read Only Memory) 23, a storage 24, a communication I/F (Interface) 25, and a user I/F 26. Prepare.
　ＣＰＵ２１は、ＲＯＭ２３やストレージ２４に記憶されたプログラムに従いＲＡＭ２２を作業領域として使用して所定の演算処理を実行する。ストレージ２４は、ＳＳＤ（Solid　State　Drive）、ＨＤＤ（Hard　Disk　Drive）等の不揮発性メモリであり、プログラム、ＣＰＵ２１の処理に必要なデータ、ＣＰＵ２１の処理により生成されたデータ等の書き込み及び読み出しを可能にする。通信Ｉ／Ｆ２５は、所定のネットワークを介して接続されたガスクロマトグラフ１１等の電子機器との通信を確立するためのデバイスである。ユーザＩ／Ｆ２６は、ユーザからの入力の受け付け、ユーザへの情報の出力等を可能にするデバイスであり、例えばキーボード、ポインティングデバイス、タッチパネル機構、ディスプレイ、スピーカ、マイク等であり得る。ＣＰＵ２１、ＲＡＭ２２、ＲＯＭ２３、ストレージ２４、通信Ｉ／Ｆ２５及びユーザＩ／Ｆ２６は、データバスを介して接続されている。 The CPU 21 uses the RAM 22 as a work area according to programs stored in the ROM 23 and the storage 24 to execute predetermined arithmetic processing. The storage 24 is a non-volatile memory such as SSD (Solid State Drive) or HDD (Hard Disk Drive), and it is possible to write and read programs, data necessary for the processing of the CPU 21, data generated by the processing of the CPU 21, etc. to The communication I/F 25 is a device for establishing communication with electronic equipment such as the gas chromatograph 11 connected via a predetermined network. The user I/F 26 is a device capable of receiving input from the user, outputting information to the user, etc., and may be, for example, a keyboard, pointing device, touch panel mechanism, display, speaker, microphone, and the like. The CPU 21, RAM 22, ROM 23, storage 24, communication I/F 25 and user I/F 26 are connected via a data bus.
　なお、図２に示される構成は例示であり、成分評価装置１２のハードウェア構成は上記に限られるものではない。成分評価装置１２は、例えば、ＦＰＧＡ（Field　Programmable　Gate　Array）、ＡＳＩＣ（Application　Specific　Integrated　Circuit）等を利用して構成されてもよいし、複数のコンピュータが連携して動作するシステムであってもよい。 The configuration shown in FIG. 2 is an example, and the hardware configuration of the component evaluation device 12 is not limited to the above. The component evaluation device 12 may be configured using, for example, FPGA (Field Programmable Gate Array), ASIC (Application Specific Integrated Circuit), etc., or may be a system in which a plurality of computers operate in cooperation. .
　図３は、実施形態の成分評価装置１２の機能構成の一例を示すブロック図である。本実施形態の成分評価装置１２は、取得部１０１、演算部１０２及び出力部１０３を有する。これらの機能的構成要素１０１～１０３は、例えば、図２に示すようなハードウェア構成及びプログラムの協働により実現され得る。なお、これらの機能的構成要素１０１～１０３は、物理的に分割された複数のハードウェアにより構成されてもよい。 FIG. 3 is a block diagram showing an example of the functional configuration of the component evaluation device 12 of the embodiment. The component evaluation device 12 of this embodiment has an acquisition unit 101 , a calculation unit 102 and an output unit 103 . These functional components 101 to 103 can be realized, for example, by cooperation of hardware configuration and programs as shown in FIG. Note that these functional components 101 to 103 may be composed of a plurality of pieces of physically divided hardware.
　取得部１０１は、ガスクロマトグラフ１１により生成された複数の分析結果を取得する。複数の分析結果のそれぞれは、試料に含まれる成分の定性値及び定量値を含む。本実施形態では、１つの事象に対応する複数の試料が準備され、当該複数の試料のそれぞれに対応する複数の分析結果が取得される。 The acquisition unit 101 acquires a plurality of analysis results generated by the gas chromatograph 11. Each of the plurality of analysis results includes qualitative values and quantitative values of components contained in the sample. In this embodiment, a plurality of samples corresponding to one event are prepared, and a plurality of analysis results corresponding to each of the plurality of samples are obtained.
　演算部１０２は、取得部１０１により取得された複数の分析結果に基づいて、１つの事象に対応する複数の試料に共通して含まれる共通成分の定量値のばらつき度合いを算出する。また、演算部１０２は、当該ばらつき度合いに基づいて、共通成分と当該事象との関連性の高さを示す評価値を算出する。 Based on the multiple analysis results acquired by the acquisition unit 101, the calculation unit 102 calculates the degree of variation in quantitative values of common components commonly contained in multiple samples corresponding to one event. Further, the calculation unit 102 calculates an evaluation value indicating the degree of relevance between the common component and the event based on the degree of variation.
　評価値をＥ、複数の試料間における共通成分の定量値の平均値をＡ、複数の試料間における共通成分の定量値の標準偏差をＳとするとき、評価値Ｅは、下記式（１）により算出され得る。下記式（１）において、標準偏差Ｓは、ばらつき度合いの一例に相当する。 When the evaluation value is E, the average value of the quantitative values of the common component among the multiple samples is A, and the standard deviation of the quantitative values of the common component among the multiple samples is S, the evaluation value E is expressed by the following formula (1). can be calculated by In the following formula (1), the standard deviation S corresponds to an example of the degree of variation.
　Ｅ＝Ａ２／Ｓ　…（１） E=A 2 /S (1)
　出力部１０３は、演算部１０２により算出された評価値を出力する。評価値の出力形式は様々であるが、例えば、複数の共通成分のそれぞれについて評価値が定められた情報や、共通成分毎に事象との関連性の高さの順位付けがなされた情報等が出力されてもよい。また、評価値の利用方法は様々であるが、例えば、所定の事象（例えば喫煙時）と関連性が高い成分（例えばニコチン等）の特定、当該特定結果に基づくセンサ（当該事象と関連性が高い成分を高精度に検出可能なセンサ）の開発等に利用され得る。 The output unit 103 outputs the evaluation value calculated by the calculation unit 102 . There are various output formats for evaluation values, but for example, information in which evaluation values are determined for each of a plurality of common components, information in which each common component is ranked according to the degree of relevance to the event, etc. may be output. In addition, there are various methods of using evaluation values, for example, identification of components (such as nicotine) that are highly related to a predetermined event (such as when smoking), sensor based on the identification result It can be used for the development of sensors capable of detecting high-precision components with high accuracy.
　図４は、実施形態の分析結果Ｄ１～Ｄ４及び成分評価情報Ｉの一例を示す図である。ここでは、４つの分析結果Ｄ１～Ｄ４に基づいて、５つの共通成分Ｃ１～Ｃ５のそれぞれについての評価値を含む成分評価情報Ｉを生成する場合の例が概念的に示されている。各分析結果Ｄ１～Ｄ４の横軸は定性値としてのＲＴ（Retention　Time）に対応し、縦軸は定量値としての強度（信号強度）に対応している。成分評価情報Ｉの横軸は定性値としてのＲＴに対応し、縦軸は評価値に対応している。 FIG. 4 is a diagram showing an example of analysis results D1 to D4 and component evaluation information I of the embodiment. Here, an example of generating component evaluation information I including evaluation values for each of five common components C1 to C5 based on four analysis results D1 to D4 is conceptually shown. The horizontal axis of each analysis result D1 to D4 corresponds to RT (Retention Time) as a qualitative value, and the vertical axis corresponds to intensity (signal intensity) as a quantitative value. The horizontal axis of the component evaluation information I corresponds to RT as a qualitative value, and the vertical axis corresponds to the evaluation value.
　４つの分析結果Ｄ１～Ｄ４は、１つの事象においてそれぞれ条件を異ならせたときに取得されるガスクロマトグラフィの分析結果である。ここでは、ある室内で喫煙を行う事象において、異なる４種類の銘柄のタバコを喫煙する場合を想定する。分析結果Ｄ１は銘柄Ａの喫煙時に取得される分析結果であり、分析結果Ｄ２は銘柄Ｂの喫煙時に取得される分析結果であり、分析結果Ｄ３は銘柄Ｃの喫煙時に取得される分析結果であり、分析結果Ｄ４は銘柄Ｄの喫煙時に取得される分析結果である。ここでは、４つの銘柄Ａ～Ｄのそれぞれに５つの共通成分Ｃ１～Ｃ５が含まれ、各共通成分Ｃ１～Ｃ５の強度（含有量）は銘柄Ａ～Ｄ毎に異なっていることが示されている。 The four analysis results D1 to D4 are gas chromatography analysis results obtained when different conditions are applied to one event. Here, it is assumed that four different brands of cigarettes are smoked in a certain indoor smoking event. The analysis result D1 is the analysis result obtained when the brand A is smoked, the analysis result D2 is the analysis result obtained when the brand B is smoked, and the analysis result D3 is the analysis result obtained when the brand C is smoked. , the analysis result D4 is the analysis result obtained when the brand D is smoked. Here, it is shown that each of the four brands A to D contains five common components C1 to C5, and the strength (content) of each common component C1 to C5 is different for each brand A to D. there is
　成分評価情報Ｉは、５つの共通成分Ｃ１～Ｃ５のそれぞれについての評価値を示している。本実施形態の評価値は、４つの分析結果Ｄ１～Ｄ４間における共通成分Ｃ１～Ｃ５の強度の平均値と、４つの分析結果Ｄ１～Ｄ４間における共通成分Ｃ１～Ｃ５の強度のばらつき度合いとに基づいて算出されている。 The component evaluation information I indicates evaluation values for each of the five common components C1 to C5. The evaluation value of this embodiment is based on the average value of the intensity of the common components C1 to C5 between the four analysis results D1 to D4 and the degree of variation in the intensity of the common components C1 to C5 between the four analysis results D1 to D4. calculated based on
　図５は、実施形態の評価値の算出例を示す図である。図５に示されるように、各共通成分Ｃ１～Ｃ５の評価値Ｅは、４つの分析結果Ｄ１～Ｄ４間における強度の平均値をＡ、４つの分析結果Ｄ１～Ｄ４間における強度の標準偏差をＳとするとき、上記式（１）により算出される。これにより、評価値Ｅは、平均値Ａが大きいほど大きくなり、標準偏差Ｓが小さいほど大きくなる。 FIG. 5 is a diagram showing an example of calculating an evaluation value according to the embodiment. As shown in FIG. 5, the evaluation value E of each common component C1 to C5 is the average value of the intensity between the four analysis results D1 to D4, and the standard deviation of the intensity between the four analysis results D1 to D4. When S, it is calculated by the above formula (1). As a result, the evaluation value E increases as the average value A increases, and increases as the standard deviation S decreases.
　上記のように評価値を算出することにより、条件（銘柄）を異ならせても安定的な強度（含有量）を示す共通成分（例えば共通成分Ｃ２）については、事象（喫煙時）との関連性が比較的高いと判定される。一方、ある条件においては大きい強度を示すが、全体としてみたときの強度のばらつき度合いが大きい共通成分（例えば共通成分Ｃ４）については、事象との関連性が比較的低いと判定される。 By calculating the evaluation value as described above, the common component (for example, common component C2) that shows stable strength (content) even if the conditions (brands) are changed, the relationship with the event (during smoking) It is judged that the sex is relatively high. On the other hand, a common component (for example, common component C4) that exhibits a large intensity under certain conditions but has a large degree of variation in intensity as a whole is determined to have relatively low relevance to the event.
　図６は実施形態の成分評価装置１２における処理の一例を示すフローチャートである。取得部１０１が複数の分析結果Ｄ１～Ｄ４を取得すると（Ｓ１０１）、演算部１０２は各共通成分Ｃ１～Ｃ５の強度の平均値Ａを算出し（Ｓ１０２）、当該強度の標準偏差Ｓを算出する（Ｓ１０３）。その後、演算部１０２は算出された平均値Ａ及び標準偏差Ｓに基づいて、上記式（１）等を用いて各共通成分Ｃ１～Ｃ５の評価値Ｅを算出する（Ｓ１０４）。出力部１０３は算出された評価値Ｅを所定の形式で（例えば上述したような成分評価情報Ｉとして）出力する（Ｓ１０５）。 FIG. 6 is a flow chart showing an example of processing in the component evaluation device 12 of the embodiment. When the acquisition unit 101 acquires a plurality of analysis results D1 to D4 (S101), the calculation unit 102 calculates the average value A of the intensities of the common components C1 to C5 (S102), and calculates the standard deviation S of the intensities. (S103). After that, the calculation unit 102 calculates the evaluation value E of each of the common components C1 to C5 using the above formula (1), etc., based on the calculated average value A and standard deviation S (S104). The output unit 103 outputs the calculated evaluation value E in a predetermined format (for example, as the component evaluation information I described above) (S105).
　上記実施形態によれば、ガスクロマトグラフィにより検出された成分（共通成分）と、当該ガスクロマトグラフィに用いられた試料に対応する事象との関連性を示す有用な情報を生成することが可能となる。 According to the above embodiment, it is possible to generate useful information indicating the relationship between the component (common component) detected by gas chromatography and the event corresponding to the sample used for the gas chromatography.
　上記のような機能を実現するためのプログラムは、成分評価装置１２にインストール可能な形式又は実行可能な形式のファイルでＣＤ－ＲＯＭ、フレキシブルディスク（ＦＤ）、ＣＤ－Ｒ、ＤＶＤ（Digital　Versatile　Disk）等のコンピュータで読み取り可能な記録媒体に記録されて提供されてもよい。また、当該プログラムを、インターネット等のネットワークに接続されたコンピュータ上に格納し、ネットワーク経由でダウンロードさせることにより提供するように構成してもよい。また、当該プログラムを、インターネット等のネットワーク経由で提供又は配布するように構成してもよい。 The program for realizing the above functions is a file in a format that can be installed in the component evaluation device 12 or in an executable format, and It may be provided by being recorded on a computer-readable recording medium such as. Alternatively, the program may be stored on a computer connected to a network such as the Internet, and provided by being downloaded via the network. Also, the program may be configured to be provided or distributed via a network such as the Internet.
　以上、本発明の実施形態を説明したが、上記実施形態は、例として提示したものであり、発明の範囲を限定することは意図していない。この新規な実施形態は、その他の様々な形態で実施されることが可能であり、発明の要旨を逸脱しない範囲で、種々の省略、置き換え、変更を行うことができる。この実施形態やその変形は、発明の範囲や要旨に含まれるとともに、請求の範囲に記載された発明とその均等の範囲に含まれる。 Although the embodiment of the present invention has been described above, the above embodiment is presented as an example and is not intended to limit the scope of the invention. This novel embodiment can be embodied in various other forms, and various omissions, replacements, and modifications can be made without departing from the scope of the invention. This embodiment and its modifications are included in the scope and gist of the invention, and are included in the scope of the invention described in the claims and its equivalents.
　１…成分評価システム、１１…ガスクロマトグラフ、１２…成分評価装置、１０１…取得部、１０２…演算部、１０３…出力部、Ｃ１～Ｃ５…共通成分、Ｄ１～Ｄ４…分析結果、Ｉ…成分評価情報 1... component evaluation system, 11... gas chromatograph, 12... component evaluation device, 101... acquisition unit, 102... calculation unit, 103... output unit, C1 to C5... common components, D1 to D4... analysis results, I... component evaluation information

Claims (5)

  1. 　試料に含まれる成分の定性値及び定量値を含むガスクロマトグラフィの分析結果を取得する取得部と、
    　複数の前記分析結果に基づいて１つの事象に対応する複数の前記試料に共通して含まれる共通成分の前記定量値のばらつき度合いを算出し、前記ばらつき度合いに基づいて前記共通成分と前記事象との関連性の高さを示す評価値を算出する演算部と、
    　前記評価値を出力する出力部と、
    　を備える成分評価装置。     an acquisition unit that acquires gas chromatography analysis results including qualitative values and quantitative values of components contained in the sample;
    calculating the degree of variation of the quantitative value of the common component commonly contained in the plurality of samples corresponding to one event based on the plurality of analysis results, and calculating the degree of variation between the common component and the event based on the degree of variation A calculation unit that calculates an evaluation value indicating the degree of relevance to
    an output unit that outputs the evaluation value;
    A component evaluation device comprising.
  2. 　前記評価値は、複数の前記試料間における前記共通成分の前記定量値の平均値が大きいほど大きくなり、前記ばらつき度合いが小さいほど大きくなる、
    　請求項１に記載の成分評価装置。     The evaluation value increases as the average value of the quantitative values of the common component among the plurality of samples increases, and increases as the degree of variation decreases.
    The component evaluation device according to claim 1.
  3. 　前記演算部は、前記評価値をＥ、複数の前記試料間における前記共通成分の前記定量値の平均値をＡ、複数の前記試料間における前記共通成分の前記定量値の標準偏差をＳとするとき、下記式（１）により前記評価値を算出する、
    　Ｅ＝Ａ２／Ｓ　…（１）
    　請求項２に記載の成分評価装置。     The computing unit defines the evaluation value as E, the average value of the quantitative values of the common component among the plurality of samples as A, and the standard deviation of the quantitative values of the common component among the plurality of samples as S. When calculating the evaluation value by the following formula (1),
    E=A 2 /S (1)
    The component evaluation device according to claim 2.
  4. 　試料に含まれる成分の定性値及び定量値を含むガスクロマトグラフィの分析結果を取得する工程と、
    　複数の前記分析結果に基づいて１つの事象に対応する複数の前記試料に共通して含まれる共通成分の前記定量値のばらつき度合いを算出する工程と、
    　前記ばらつき度合いに基づいて前記共通成分と前記事象との関連性の高さを示す評価値を算出する工程と、
    　前記評価値を出力する工程と、
    　を含む成分評価方法。     obtaining gas chromatography analysis results including qualitative and quantitative values of components contained in the sample;
    calculating the degree of variation in the quantitative value of the common component commonly contained in the plurality of samples corresponding to one event based on the plurality of analysis results;
    calculating an evaluation value indicating a degree of relevance between the common component and the event based on the degree of variation;
    a step of outputting the evaluation value;
    Ingredient evaluation method including.
  5. 　コンピュータに、
    　試料に含まれる成分の定性値及び定量値を含むガスクロマトグラフィの分析結果を取得する処理と、
    　複数の前記分析結果に基づいて１つの事象に対応する複数の前記試料に共通して含まれる共通成分の前記定量値のばらつき度合いを算出する処理と、
    　前記ばらつき度合いに基づいて前記共通成分と前記事象との関連性の高さを示す評価値を算出する処理と、
    　前記評価値を出力する処理と、
    　を実行させるプログラム。     to the computer,
    A process of obtaining analysis results of gas chromatography including qualitative values and quantitative values of components contained in the sample;
    A process of calculating the degree of variation in the quantitative value of the common component commonly contained in the plurality of samples corresponding to one event based on the plurality of analysis results;
    a process of calculating an evaluation value indicating a degree of relevance between the common component and the event based on the degree of variation;
    a process of outputting the evaluation value;
    program to run.
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