HK1135058A1 - Ion detection and parameter estimation for n-dimensional data - Google Patents

Ion detection and parameter estimation for n-dimensional data

Info

Publication number
HK1135058A1
HK1135058A1 HK10101458.1A HK10101458A HK1135058A1 HK 1135058 A1 HK1135058 A1 HK 1135058A1 HK 10101458 A HK10101458 A HK 10101458A HK 1135058 A1 HK1135058 A1 HK 1135058A1
Authority
HK
Hong Kong
Prior art keywords
dimensional data
parameter estimation
ion detection
data
ion
Prior art date
Application number
HK10101458.1A
Other languages
English (en)
Inventor
Marc V Gorenstein
Guo-Zhong Li
Original Assignee
Waters Technologies Corp
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Waters Technologies Corp filed Critical Waters Technologies Corp
Publication of HK1135058A1 publication Critical patent/HK1135058A1/xx

Links

Classifications

    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/26—Mass spectrometers or separator tubes
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/20—Identification of molecular entities, parts thereof or of chemical compositions
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/0027—Methods for using particle spectrometers
    • H01J49/0036—Step by step routines describing the handling of the data generated during a measurement
    • H—ELECTRICITY
    • H01—ELECTRIC ELEMENTS
    • H01J—ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
    • H01J49/00—Particle spectrometers or separator tubes
    • H01J49/02—Details
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F2218/00—Aspects of pattern recognition specially adapted for signal processing
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING OR COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F2218/00—Aspects of pattern recognition specially adapted for signal processing
    • G06F2218/08—Feature extraction
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/70—Machine learning, data mining or chemometrics

Landscapes

  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Physics & Mathematics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Image Processing (AREA)
HK10101458.1A 2006-05-26 2010-02-09 Ion detection and parameter estimation for n-dimensional data HK1135058A1 (en)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US80890106P 2006-05-26 2006-05-26
PCT/US2007/069784 WO2007140327A2 (en) 2006-05-26 2007-05-25 Ion detection and parameter estimation for n-dimensional data

Publications (1)

Publication Number Publication Date
HK1135058A1 true HK1135058A1 (en) 2010-05-28

Family

ID=38779384

Family Applications (1)

Application Number Title Priority Date Filing Date
HK10101458.1A HK1135058A1 (en) 2006-05-26 2010-02-09 Ion detection and parameter estimation for n-dimensional data

Country Status (6)

Country Link
US (3) US8178834B2 (xx)
EP (1) EP2024064B1 (xx)
JP (1) JP5542433B2 (xx)
CN (1) CN101534933B (xx)
HK (1) HK1135058A1 (xx)
WO (1) WO2007140327A2 (xx)

Families Citing this family (68)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20020115056A1 (en) * 2000-12-26 2002-08-22 Goodlett David R. Rapid and quantitative proteome analysis and related methods
GB0305796D0 (en) * 2002-07-24 2003-04-16 Micromass Ltd Method of mass spectrometry and a mass spectrometer
WO2005079263A2 (en) * 2004-02-13 2005-09-01 Waters Investments Limited Apparatus and method for identifying peaks in liquid chromatography/mass spectrometry data and for forming spectra and chromatograms
JP5542433B2 (ja) * 2006-05-26 2014-07-09 ウオーターズ・テクノロジーズ・コーポレイシヨン イオン検出およびｎ次元データのパラメータ推定
US20090199620A1 (en) * 2006-06-08 2009-08-13 Shimadzu Corporation Chromatograph mass analysis data processing apparatus
US7501621B2 (en) * 2006-07-12 2009-03-10 Leco Corporation Data acquisition system for a spectrometer using an adaptive threshold
US8067731B2 (en) * 2008-03-08 2011-11-29 Scott Technologies, Inc. Chemical detection method and system
JP2011522257A (ja) * 2008-05-29 2011-07-28 ウオーターズ・テクノロジーズ・コーポレイシヨン 前駆体および生成物イオンの保持時間一致を実行し、前駆体および生成物イオンスペクトルを構成する技術
JP4973628B2 (ja) * 2008-08-29 2012-07-11 株式会社島津製作所 クロマトグラフ質量分析データ解析方法及び装置
DE102008046139B4 (de) * 2008-09-05 2024-03-28 Thermo Fisher Scientific (Bremen) Gmbh Verfahren zur quantitativen Bestimmung einer Substanz durch Massenspektrometrie
GB0909289D0 (en) * 2009-05-29 2009-07-15 Micromass Ltd Method of processing mass spectral data
DE102009035587B3 (de) * 2009-07-31 2011-03-24 Siemens Aktiengesellschaft Verfahren zur Filterung eines Chromatogramms
CN102667789A (zh) * 2009-10-02 2012-09-12 梅塔博隆有限公司 用于分析复杂混合物中小分子成分的设备和相关方法
AU2010312302B2 (en) * 2009-10-29 2014-04-24 Optimark, L.L.C. Digital watermarking
CN102109491B (zh) * 2009-12-24 2013-03-27 同方威视技术股份有限公司 离子迁移谱检测仪的基于离子图序列的物质识别方法
US8921773B2 (en) 2010-01-20 2014-12-30 Waters Technologies Corporation Techniques for efficient fragmentation of peptides
GB201002447D0 (en) * 2010-02-12 2010-03-31 Micromass Ltd Mass spectrometer
US8706426B2 (en) * 2010-04-16 2014-04-22 University Of Central Florida Research Foundation, Inc. Systems and methods for identifying classes of substances
US20130080073A1 (en) * 2010-06-11 2013-03-28 Waters Technologies Corporation Techniques for mass spectrometry peak list computation using parallel processing
GB2485187A (en) * 2010-11-04 2012-05-09 Agilent Technologies Inc Displaying chromatography data
GB201100301D0 (en) * 2011-01-10 2011-02-23 Micromass Ltd Method of processing multidmensional mass spectrometry data
JP5556695B2 (ja) * 2011-02-16 2014-07-23 株式会社島津製作所 質量分析データ処理方法及び該方法を用いた質量分析装置
JP5941073B2 (ja) * 2011-03-11 2016-06-29 レコ コーポレイションＬｅｃｏ Ｃｏｒｐｏｒａｔｉｏｎ クロマトグラフィーシステムでのデータを処理するためのシステム及び方法
WO2013026026A2 (en) 2011-08-17 2013-02-21 Smiths Detection Inc. Shift correction for spectral analysis
US9810669B2 (en) 2011-11-28 2017-11-07 Waters Technologies Corporation Techniques for quantification of samples
EP2823748B1 (en) 2012-03-07 2018-12-19 Olympus Corporation Optical measurement device and method for associating fiber bundle
WO2013134771A1 (en) * 2012-03-09 2013-09-12 Torion Technologies, Inc. Deconvolution and identification algorithms for use on spectroscopic data
GB201205009D0 (en) * 2012-03-22 2012-05-09 Micromass Ltd Multi-dimensional survey scans for improved data dependent acquisitions (DDA)
WO2013184995A1 (en) * 2012-06-07 2013-12-12 Waters Technologies Corporation Methods and apparatus for performing mass spectrometry
EP2741224A1 (en) * 2012-11-20 2014-06-11 Thermo Finnigan LLC Methods for generating local mass spectral libraries for interpreting multiplexed mass spectra
US10860526B2 (en) * 2012-12-01 2020-12-08 The Regents Of The University Of California System and method of managing large data files
JP5997650B2 (ja) 2013-04-15 2016-09-28 株式会社日立ハイテクノロジーズ 分析システム
EP3031069B1 (en) * 2013-08-09 2020-12-23 DH Technologies Development PTE. Ltd. Intensity correction for tof data acquisition
WO2015033397A1 (ja) * 2013-09-04 2015-03-12 株式会社島津製作所 クロマトグラフ質量分析用データ処理装置
US9143162B2 (en) 2013-11-05 2015-09-22 Waters Technologies Corporation Techniques for compressing mass spectrometry data in real-time
JP6538083B2 (ja) * 2014-05-30 2019-07-03 メタボロン，インコーポレイテッド 複数のサンプル処理における複雑な混合物の小分子成分を分析するための方法、並びに関連する装置及びコンピュータプログラム製品
US11404258B2 (en) 2014-06-09 2022-08-02 Water Technologies Corporation Method to remove ion interferences
EP3155638B1 (en) 2014-06-13 2023-09-20 Waters Technologies Corporation Analysis of complex biological matrices through targeting and advanced precursor and product ion alignment
EP3155637A4 (en) * 2014-06-13 2018-03-07 Waters Technologies Corporation Intelligent target-based acquisition
WO2015191993A1 (en) * 2014-06-13 2015-12-17 Waters Technologies Corporation System and method for enhancing charge-state determination in electrospray mass spectrometry
US10041907B2 (en) * 2014-09-26 2018-08-07 Micromass Uk Limited Accurate mobility chromatograms
CN105574474B (zh) * 2014-10-14 2019-03-12 中国科学院大连化学物理研究所 一种基于质谱信息的生物特征图像识别方法
CN105572212B (zh) * 2014-10-14 2018-12-07 中国科学院大连化学物理研究所 一种基于可视化质谱信息的生晒参和红参快速识别方法
CN105844328B (zh) * 2015-01-15 2021-03-02 开利公司 用于自动试运行人员计数系统的方法和系统
GB201509209D0 (en) 2015-05-28 2015-07-15 Micromass Ltd Echo cancellation for time of flight analogue to digital converter
GB2539871A (en) * 2015-05-29 2017-01-04 Micromass Ltd A method of mass spectrometry
JP6555414B2 (ja) * 2016-04-27 2019-08-07 株式会社島津製作所 データ処理方法及び装置
CN109073615B (zh) * 2016-05-02 2021-11-23 株式会社岛津制作所 数据处理装置
JP6637393B2 (ja) * 2016-07-29 2020-01-29 日本電子株式会社 四重極型質量分析計及び質量分析方法
US11183376B2 (en) * 2016-11-23 2021-11-23 Atonarp Inc. System and method for determining set of mass to charge ratios for set of gases
US9779922B1 (en) * 2017-01-17 2017-10-03 Advion Inc. Generation of discovery ion currents and mass spectrometry and uses thereof
CN106950315B (zh) * 2017-04-17 2019-03-26 宁夏医科大学 基于uplc-qtof快速表征样品中化学成分的方法
DK3724654T3 (da) * 2017-12-15 2024-05-27 Metabolon Inc Fremgangsmåde til at analysere små molekylekomponenter af en kompleks blanding, samt tilhørende indretning og computerprogramprodukt
US11404259B2 (en) * 2018-02-19 2022-08-02 Cerno Bioscience Llc Reliable and automatic mass spectral analysis
CN108614064B (zh) * 2018-04-10 2019-07-16 华南理工大学 一种二维色谱峰的检测方法及其应用
KR102157348B1 (ko) * 2018-12-20 2020-09-18 한국과학기술연구원 모발시료 처리 및 이차이온질량분석을 이용한 모발증거물 감식방법
JP2020139789A (ja) * 2019-02-27 2020-09-03 株式会社島津製作所 微生物分析用試料の調製方法、微生物の分析方法、微生物の識別方法および微生物分析用キット
US11216742B2 (en) 2019-03-04 2022-01-04 Iocurrents, Inc. Data compression and communication using machine learning
US20220189754A1 (en) * 2019-05-31 2022-06-16 Dh Technologies Development Pte. Ltd. Method for Real Time Encoding of Scanning SWATH Data and Probabilistic Framework for Precursor Inference
US20210190740A1 (en) * 2019-12-19 2021-06-24 Bio-Rad Laboratories, Inc. Automated chromatogram analysis for blood test evaluation
CN111490752B (zh) * 2020-04-22 2024-02-02 广西科技大学 一种用于数字滤波器求取光谱导数的方法
CN115605749A (zh) * 2020-05-25 2023-01-13 株式会社岛津制作所（Jp） 色谱质量分析数据处理方法、色谱质量分析装置及色谱质量分析数据处理用程序
WO2022003890A1 (ja) * 2020-07-02 2022-01-06 株式会社島津製作所 イメージング質量分析装置及びイメージング質量分析データ処理方法
JP7249980B2 (ja) * 2020-10-26 2023-03-31 日本電子株式会社 マススペクトル処理装置及び方法
CN113138248B (zh) * 2021-04-25 2022-08-02 贵州中烟工业有限责任公司 特征图谱提取方法及料液配制质量稳定性的检测方法
CN113960152B (zh) * 2021-10-18 2023-06-06 北方工业大学 一种基于离子迁移谱的痕量爆炸物识别方法及系统
GB2617318A (en) * 2022-03-30 2023-10-11 Thermo Fisher Scient Bremen Gmbh Analysis of time-of-flight mass spectra
CN116257745B (zh) * 2023-05-10 2023-08-15 杭州致成电子科技有限公司 一种负荷电流极端异常数据处理方法和装置

Family Cites Families (16)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5440119A (en) 1992-06-02 1995-08-08 Labowsky; Michael J. Method for eliminating noise and artifact peaks in the deconvolution of multiply charged mass spectra
US6960761B2 (en) 1997-06-02 2005-11-01 Advanced Research & Technology Institute Instrument for separating ions in time as functions of preselected ion mobility and ion mass
DE19803309C1 (de) * 1998-01-29 1999-10-07 Bruker Daltonik Gmbh Massenspektrometrisches Verfahren zur genauen Massenbestimmung unbekannter Ionen
CN1262337C (zh) 2000-11-16 2006-07-05 赛弗根生物系统股份有限公司 质谱分析方法
US6787761B2 (en) * 2000-11-27 2004-09-07 Surromed, Inc. Median filter for liquid chromatography-mass spectrometry data
US6873915B2 (en) 2001-08-24 2005-03-29 Surromed, Inc. Peak selection in multidimensional data
US6835927B2 (en) 2001-10-15 2004-12-28 Surromed, Inc. Mass spectrometric quantification of chemical mixture components
AU2003262188A1 (en) * 2002-04-12 2003-10-27 Northeastern University Matched filtration with experimental noise determination for denoising, peak picking and quantitation in lc-ms
US6983213B2 (en) * 2003-10-20 2006-01-03 Cerno Bioscience Llc Methods for operating mass spectrometry (MS) instrument systems
US7684934B2 (en) * 2003-06-06 2010-03-23 The United States Of America As Represented By The Department Of Health And Human Services Pattern recognition of whole cell mass spectra
WO2005079263A2 (en) 2004-02-13 2005-09-01 Waters Investments Limited Apparatus and method for identifying peaks in liquid chromatography/mass spectrometry data and for forming spectra and chromatograms
JP4246662B2 (ja) * 2004-04-15 2009-04-02 株式会社日立ハイテクノロジーズ 飛行時間型質量分析装置および分析方法
US7075064B2 (en) * 2004-05-24 2006-07-11 Brigham Young University System and method for extracting spectra from data produced by a spectrometer
JP4513488B2 (ja) * 2004-10-06 2010-07-28 株式会社日立製作所 イオンモビリティー分析装置及びイオンモビリティー分析方法
JP2006184275A (ja) 2004-11-30 2006-07-13 Jeol Ltd 質量分析方法および質量分析装置
JP5542433B2 (ja) * 2006-05-26 2014-07-09 ウオーターズ・テクノロジーズ・コーポレイシヨン イオン検出およびｎ次元データのパラメータ推定

Also Published As

Publication number Publication date
EP2024064A4 (en) 2012-01-04
JP2009539067A (ja) 2009-11-12
EP2024064A2 (en) 2009-02-18
US20140025342A1 (en) 2014-01-23
CN101534933A (zh) 2009-09-16
US20090294645A1 (en) 2009-12-03
US8178834B2 (en) 2012-05-15
EP2024064B1 (en) 2014-11-19
US20120259557A1 (en) 2012-10-11
CN101534933B (zh) 2013-03-27
US8766172B2 (en) 2014-07-01
WO2007140327A2 (en) 2007-12-06
US8480110B2 (en) 2013-07-09
JP5542433B2 (ja) 2014-07-09
WO2007140327A3 (en) 2008-04-10

Similar Documents

Publication Publication Date Title
HK1135058A1 (en) Ion detection and parameter estimation for n-dimensional data
WO2008031110A3 (en) Method and apparatus for providing analyte sensor and data processing device
WO2005067582A3 (en) Methods and apparatus for enhanced sample identification based on combined analytical techniques
WO2008067395A3 (en) Practical ion mobility spectrometer apparatus and methods for chemical and/or biological detection
WO2008031106A3 (en) Method and system for providing an integrated analyte sensor insertion device and data processing unit
WO2008058084A3 (en) Analyte sensore method and apparatus
NO20061601L (no) Bevegelseskompenserte seismiske havbunnssensorer og fremgangsmater for bruk i seismisk datainnsamling pa havbunnen
GB2454319C (en) Data processing apparatus and method.
WO2008122975A3 (en) Means and methods for detecting bacteria in a sample
EP2114241A4 (en) METHOD AND SYSTEM FOR PROVIDING ANALYTE MONITORING
EP1868375A4 (en) IMAGE PROCESSING APPARATUS AND METHOD, PROGRAM AND RECORDING MEDIUM
TW200737128A (en) Systems, methods, and apparatus for detection of tonal components
EP1910949A4 (en) IMPROVED METHOD AND APPARATUS FOR ANALYZING SOCIOLOGICAL DATA
EP1804182A4 (en) APPARATUS, METHOD AND PROGRAM FOR INFORMATION PROCESSING
WO2008016691A3 (en) Methods and apparatus for treating samples with acoustic energy
GB2425906B (en) Data processing apparatus and method
EP1958185A4 (en) METHODS AND DEVICES FOR DISTINGUISHING HIGH QUALITY SAMPLING DATA FROM LOW QUALITY SAMPLING DATA
EP1991110A4 (en) SYSTEMS AND METHODS FOR PROCESSING SUBSTANCE SENSOR DATA TO BE ANALYZED
TWI320641B (en) Method and apparatus for estimating signal-to-noise ratio based on dedicated physical channel pilot symbols
WO2007120373A3 (en) Differential mobility spectrometer analyzer and pre-filter apparatus, methods and systems
EP1865311A4 (en) PIEZOELECTRIC ELEMENT INSPECTION METHOD, INSPECTION DEVICE, AND POLARIZATION PROCESSING METHOD
EP1901547A4 (en) DEVICE AND METHOD FOR PROCESSING IMAGE DATA, AND PROGRAM
EP1942435A4 (en) INFORMATION PROCESSING DEVICE AND METHOD THEREFOR
EP1808858A4 (en) FILE MANUFACTURING SYSTEM, FILE WORKING PROCESS, PROGRAM AND RECORDING MEDIUM
GB0606900D0 (en) Method and apparatus for source and receiver side wave field separation

Legal Events

Date Code Title Description
PC Patent ceased (i.e. patent has lapsed due to the failure to pay the renewal fee)

Effective date: 20220528