CN100561463C - 自动删除系列波谱中的异常值的方法 - Google Patents

自动删除系列波谱中的异常值的方法 Download PDF

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Publication number
CN100561463C
CN100561463C CNB2006100578657A CN200610057865A CN100561463C CN 100561463 C CN100561463 C CN 100561463C CN B2006100578657 A CNB2006100578657 A CN B2006100578657A CN 200610057865 A CN200610057865 A CN 200610057865A CN 100561463 C CN100561463 C CN 100561463C
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spectrum
spectra
series
main
spectral
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CN1838107A (zh
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弗兰克·迪特勒
阿尔弗雷德·罗斯
格茨·施洛特贝克
汉斯·森
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F Hoffmann La Roche AG
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    • G—PHYSICS
    • G06—COMPUTING OR CALCULATING; COUNTING
    • G06F—ELECTRIC DIGITAL DATA PROCESSING
    • G06F17/00—Digital computing or data processing equipment or methods, specially adapted for specific functions
    • G06F17/10—Complex mathematical operations
    • G06F17/18—Complex mathematical operations for evaluating statistical data, e.g. average values, frequency distributions, probability functions, regression analysis
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N24/00—Investigating or analyzing materials by the use of nuclear magnetic resonance, electron paramagnetic resonance or other spin effects
    • G01N24/08—Investigating or analyzing materials by the use of nuclear magnetic resonance, electron paramagnetic resonance or other spin effects by using nuclear magnetic resonance
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01R—MEASURING ELECTRIC VARIABLES; MEASURING MAGNETIC VARIABLES
    • G01R33/00—Arrangements or instruments for measuring magnetic variables
    • G01R33/20—Arrangements or instruments for measuring magnetic variables involving magnetic resonance
    • G01R33/44—Arrangements or instruments for measuring magnetic variables involving magnetic resonance using nuclear magnetic resonance [NMR]
    • G01R33/46—NMR spectroscopy
    • G01R33/4625—Processing of acquired signals, e.g. elimination of phase errors, baseline fitting, chemometric analysis
    • Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
    • Y10—TECHNICAL SUBJECTS COVERED BY FORMER USPC
    • Y10T—TECHNICAL SUBJECTS COVERED BY FORMER US CLASSIFICATION
    • Y10T436/00—Chemistry: analytical and immunological testing
    • Y10T436/24—Nuclear magnetic resonance, electron spin resonance or other spin effects or mass spectrometry

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  • Physics & Mathematics (AREA)
  • Engineering & Computer Science (AREA)
  • General Physics & Mathematics (AREA)
  • High Energy & Nuclear Physics (AREA)
  • Data Mining & Analysis (AREA)
  • Mathematical Analysis (AREA)
  • Theoretical Computer Science (AREA)
  • Mathematical Physics (AREA)
  • Pure & Applied Mathematics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Mathematical Optimization (AREA)
  • Computational Mathematics (AREA)
  • Probability & Statistics with Applications (AREA)
  • Signal Processing (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Operations Research (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Condensed Matter Physics & Semiconductors (AREA)
  • Algebra (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Databases & Information Systems (AREA)
  • Software Systems (AREA)
  • General Engineering & Computer Science (AREA)
  • Evolutionary Biology (AREA)
  • Health & Medical Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • General Health & Medical Sciences (AREA)
  • Immunology (AREA)
  • Pathology (AREA)
  • Investigating Or Analysing Materials By Optical Means (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
CNB2006100578657A 2005-03-24 2006-03-01 自动删除系列波谱中的异常值的方法 Expired - Fee Related CN100561463C (zh)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
EP05006476.5 2005-03-24
EP05006476A EP1705578A1 (en) 2005-03-24 2005-03-24 Method for processing a set of spectra, particularly NMR spectra

Publications (2)

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CN1838107A CN1838107A (zh) 2006-09-27
CN100561463C true CN100561463C (zh) 2009-11-18

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US (1) US7277807B2 (https=)
EP (1) EP1705578A1 (https=)
JP (1) JP2006267111A (https=)
CN (1) CN100561463C (https=)
CA (1) CA2533961A1 (https=)
SG (1) SG126028A1 (https=)

Families Citing this family (14)

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Publication number Priority date Publication date Assignee Title
DE102008050347B4 (de) * 2008-10-02 2011-01-20 Siemens Aktiengesellschaft Verfahren, Magnetresonanzanlage und Datenträger zur Bestimmung eines Nierenfunktionsparameters
US8886467B2 (en) * 2008-10-27 2014-11-11 Schlumberger Technology Corporation Process and apparatus for processing signals
EP2270699A1 (en) 2009-07-02 2011-01-05 BIOCRATES Life Sciences AG Method for normalization in metabolomics analysis methods with endogenous reference metabolites
US8405396B2 (en) 2009-09-30 2013-03-26 International Business Machines Corporation Implantable or insertable nuclear magnetic resonant imaging system
KR20110101483A (ko) * 2010-03-08 2011-09-16 삼성전자주식회사 플라즈마 장치의 제어 방법 및 시스템
TWI641921B (zh) * 2011-08-01 2018-11-21 Nova Measuring Instruments Ltd. 用以檢驗圖案化結構量測的監測系統及方法
DE102012205686B3 (de) * 2012-04-05 2013-08-01 Numares Gmbh Verfahren zur Substanzidentifizierung und zugehöriges Computerprogrammprodukt
GB201315195D0 (en) * 2013-08-23 2013-10-09 Perkinelmer Uk Ltd Identifying presence of substances
US10241037B2 (en) * 2014-10-21 2019-03-26 Colorado State University Research Foundation Laser sensor for trace gas detection
GB2554085A (en) * 2016-09-16 2018-03-28 Imperial Innovations Ltd Methods of systems for analysis
CN107543838B (zh) * 2017-09-20 2019-07-26 北京市食品安全监控和风险评估中心（北京市食品检验所） 一种稀奶油中掺假植脂奶油的核磁共振检测方法
CN110286663B (zh) * 2019-06-28 2021-05-25 云南中烟工业有限责任公司 基于区域性的卷烟物理指标标准化生产的提升方法
CN111982949B (zh) * 2020-08-19 2022-06-07 东华理工大学 一种四次导数结合三样条小波变换分离edxrf光谱重叠峰方法
US20240077439A1 (en) * 2022-08-31 2024-03-07 Laboratory Corporation Of America Holdings Methods and Systems for Measuring Citrate and Creatinine Levels by NMR Spectroscopy

Family Cites Families (9)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5027072A (en) * 1989-12-07 1991-06-25 The University Of Akron Alternate method of Fourier transform NMR data acquisition
DE69013137T2 (de) * 1990-01-18 1995-03-02 Hewlett Packard Co Verfahren zur Unterscheidung von Mischungen chemischer Verbindungen.
WO1993021592A1 (en) * 1992-04-16 1993-10-28 The Dow Chemical Company Improved method for interpreting complex data and detecting abnormal instrument or process behavior
DE19616390C2 (de) * 1996-04-24 2002-05-29 Siemens Ag Verfahren zur Identifikation von Spikes in MR-Signalen
EP1158307A1 (en) * 2000-04-18 2001-11-28 F.Hoffmann-La Roche Ag Method for increasing the throughput of NMR spectrometers
US6835927B2 (en) * 2001-10-15 2004-12-28 Surromed, Inc. Mass spectrometric quantification of chemical mixture components
AU2003256479A1 (en) * 2002-07-11 2004-02-02 The Research Foundation Of State University Of New York A method of using g-matrix fourier transformation nuclear magnetic resonance (gft nmr) spectroscopy for rapid chemical shift assignment and secondary structure determination of proteins
DE60308864T2 (de) * 2003-09-12 2007-05-24 Bruker Biospin Gmbh Verfahren der Resonanz-Spektroskopie für die Analyse von statistischen Eigenschaften von Proben
EP1530059A1 (en) * 2003-11-07 2005-05-11 F. Hoffmann-La Roche Ag Method for estimating the number of nuclei of a preselected isotope in a molecular species from an NMR spectrum

Also Published As

Publication number Publication date
EP1705578A1 (en) 2006-09-27
US7277807B2 (en) 2007-10-02
JP2006267111A (ja) 2006-10-05
CA2533961A1 (en) 2006-09-24
US20060217926A1 (en) 2006-09-28
CN1838107A (zh) 2006-09-27
SG126028A1 (en) 2006-10-30

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