JP2013002967A5 - - Google Patents

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JP2013002967A5
JP2013002967A5 JP2011134546A JP2011134546A JP2013002967A5 JP 2013002967 A5 JP2013002967 A5 JP 2013002967A5 JP 2011134546 A JP2011134546 A JP 2011134546A JP 2011134546 A JP2011134546 A JP 2011134546A JP 2013002967 A5 JP2013002967 A5 JP 2013002967A5
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mass
data display
display device
axis
mass spectrum
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JP2011134546A
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JP2013002967A (en
JP5708289B2 (en
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１０…質量分析データ表示装置
１１…ＣＰＵ
１２…メモリ
１３…表示部
１４…入力部
１５…記憶部
１６…Ｉ／Ｆ
１７…通信線
２０…質量分析装置
３０…ＯＳ
３１…制御／データ処理プログラム
３２…質量分析データ表示プログラム
３２１…変形グラフ作成部
３２２…ピーク情報取得部
３２３…データ表示部
３２４…表示設定部
３３…ライブラリ
４０…質量軸
４１…強度軸
４２…等強度線 10 ... Mass spectrometry data display device 11 ... CPU
DESCRIPTION OF SYMBOLS 12 ... Memory 13 ... Display part 14 ... Input part 15 ... Memory | storage part 16 ... I / F
1 7 Communication line 20 Mass spectrometer 30 OS
31 ... Control / data processing program 32 ... Mass analysis data display program 321 ... Deformation graph creation unit 322 ... Peak information acquisition unit 323 ... Data display unit 324 ... Display setting unit 33 ... Library 40 ... Mass axis 41 ... Intensity axis 42 ... etc. Intensity line

Claims (11)

一方の軸を質量軸、他方の軸を強度軸としてマススペクトルを画面上に表示する質量分析データ表示装置において、
前記質量軸を環状、前記強度軸をその径方向とするマススペクトルを作成する変形グラフ作成手段と、
前記変形グラフ作成手段により作成されたマススペクトルと共に、該マススペクトルに含まれるピークのピーク情報を、ピークと関連づけて該マススペクトルの外周に表示するデータ表示手段と、
を有することを特徴とする質量分析データ表示装置。 In a mass spectrometry data display device that displays a mass spectrum on the screen with one axis as the mass axis and the other axis as the intensity axis,
A deformation graph creating means for creating a mass spectrum having the mass axis as an annular shape and the intensity axis as a radial direction;
Data display means for displaying the peak information of the peak included in the mass spectrum together with the mass spectrum created by the deformation graph creating means in association with the peak on the outer periphery of the mass spectrum;
A mass spectrometric data display device comprising: 一方の軸を質量軸、他方の軸を強度軸としてマススペクトルを画面上に表示する質量分析データ表示装置において、
前記質量軸を前記画面の縦方向に、前記強度軸を前記画面の横方向又は斜め方向に、それぞれ向けたマススペクトルを作成する変形グラフ作成手段と、
前記変形グラフ表示手段により作成されたマススペクトルと共に、該マススペクトルに含まれるピークのピーク情報を、ピークと関連づけて該マススペクトルの左及び／又は右に表示するデータ表示手段と、
を有することを特徴とする質量分析データ表示装置。 In a mass spectrometry data display device that displays a mass spectrum on the screen with one axis as the mass axis and the other axis as the intensity axis,
A deformation graph creating means for creating a mass spectrum in which the mass axis is directed in the vertical direction of the screen and the intensity axis is directed in the horizontal direction or the oblique direction of the screen;
Data display means for displaying peak information of peaks included in the mass spectrum together with the mass spectrum created by the deformation graph display means on the left and / or right of the mass spectrum,
A mass spectrometric data display device comprising: 前記ピーク情報が複数の候補を有する際に、該候補の各々について所定の評価方法に基づいて評価値が算出され、前記データ表示手段が、ピークに近い方から順に評価値の良い候補を表示することを特徴とする請求項１又は２に記載の質量分析データ表示装置。   When the peak information has a plurality of candidates, an evaluation value is calculated for each of the candidates based on a predetermined evaluation method, and the data display means displays candidates with good evaluation values in order from the closest to the peak. The mass spectrometry data display device according to claim 1 or 2, wherein 前記ピーク情報が複数の候補を有する際に、該候補の各々について所定の評価方法に基づいて評価値が算出され、前記データ表示手段が、評価値の良い候補を大きく、評価値の悪い候補を小さく表示することを特徴とする請求項１〜３のいずれかに記載の質量分析データ表示装置。   When the peak information has a plurality of candidates, an evaluation value is calculated for each of the candidates based on a predetermined evaluation method, and the data display means selects a candidate with a large evaluation value and a candidate with a poor evaluation value. The mass spectrometry data display device according to any one of claims 1 to 3, wherein the data is displayed in a small size. 前記ピーク情報が複数の構造式候補を含み、前記評価方法が各ピークの精密質量とその構造式候補の精密質量との誤差であることを特徴とする請求項３又は４に記載の質量分析データ表示装置。   5. The mass spectrometry data according to claim 3, wherein the peak information includes a plurality of structural formula candidates, and the evaluation method is an error between an accurate mass of each peak and an accurate mass of the structural formula candidate. Display device. 前記ピーク情報が複数の構造式候補を含み、前記評価方法が、該ピーク情報に対応するピークを開裂することにより得られる実測マススペクトルと、各構造式候補から得られる予測マススペクトルとの類似度であることを特徴とする請求項３又は４に記載の質量分析データ表示装置。   The peak information includes a plurality of structural formula candidates, and the degree of similarity between the measured mass spectrum obtained by cleaving the peak corresponding to the peak information and the predicted mass spectrum obtained from each structural formula candidate. The mass spectrometry data display device according to claim 3 or 4, wherein 前記マススペクトル上に強度の等しい等強度線を表示することを特徴とする請求項１〜６のいずれかに記載の質量分析データ表示装置。   The mass spectrometry data display device according to any one of claims 1 to 6, wherein an isointensity line having the same intensity is displayed on the mass spectrum. ユーザが、前記画面上に表示するピーク情報の項目を設定できることを特徴とする請求項１〜７のいずれかに記載の質量分析データ表示装置。   The mass spectrometry data display device according to any one of claims 1 to 7, wherein a user can set an item of peak information to be displayed on the screen. ユーザが、前記画面上に表示するピーク情報の表示順序を設定できることを特徴とする請求項１〜８のいずれかに記載の質量分析データ表示装置。   The mass spectrometry data display device according to claim 1, wherein a user can set a display order of peak information displayed on the screen. 前記ピーク情報が複数の候補を有する際に、前記画面上に表示する候補を抽出するためのフィルタリングの設定をユーザが行うことができることを特徴とする請求項１〜９のいずれかに記載の質量分析データ表示装置。 The mass according to any one of claims 1 to 9, wherein when the peak information has a plurality of candidates, a user can set filtering for extracting candidates to be displayed on the screen. Analytical data display device. コンピュータを請求項１〜１０のいずれかに記載の質量分析データ表示装置として機能させるための質量分析データ表示プログラム。   The mass spectrometry data display program for functioning a computer as a mass spectrometry data display apparatus in any one of Claims 1-10.
JP2011134546A 2011-06-16 2011-06-16 Mass spectrometry data display device and mass spectrometry data display program Active JP5708289B2 (en)

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JP2013002967A JP2013002967A (en) 2013-01-07
JP2013002967A5 true JP2013002967A5 (en) 2013-11-21
JP5708289B2 JP5708289B2 (en) 2015-04-30

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JP6460252B2 (en) 2015-09-25 2019-01-30 株式会社島津製作所 Mass spectrometry data processor for qualitative analysis
JP6686792B2 (en) * 2016-08-25 2020-04-22 株式会社島津製作所 Analytical data display processor
JP6996451B2 (en) * 2018-08-24 2022-01-17 株式会社島津製作所 Analysis support device and analysis support method
JP7163874B2 (en) * 2019-06-11 2022-11-01 株式会社島津製作所 Analysis device and X-ray diffraction device

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JP2000322589A (en) * 1999-05-07 2000-11-24 Nec Corp Graph display system
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JP3743717B2 (en) * 2002-06-25 2006-02-08 株式会社日立製作所 Mass spectrometry data analysis method, mass spectrometry data analysis apparatus, mass spectrometry data analysis program, and solution providing system
JP2005221250A (en) * 2004-02-03 2005-08-18 Jeol Ltd Method and apparatus for analyzing mass spectrum
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WO2007145232A1 (en) * 2006-06-13 2007-12-21 Kyoto University Secondary ion mass spectrometry method and imaging method
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WO2008038179A2 (en) * 2006-09-27 2008-04-03 Koninklijke Philips Electronics N. V. Color selection input device and method

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