ChemPattern™Ultimate Edition User interface of new solution creation (1/21) Interface of solution preview and database management (2/21) Sample profile overlap and peak retention time alignment interface (3/21) Sample mirror profile and common pattern matching results interface (4/21) Interface of chromatographic fingerprint common pattern generation  (5/21) Chemical reference definition interface of multi-component quantitative determination (6/21) Regression curves of external standard with calibration factor of multi-component quantitative determination (7/21) TLC track positioning and digital scanning user interface (8/21) User Interface of 3D TLC image reconstruction  (9/21) ESI-MS sample TIC deconvolution results (partial) (10/21) Mass map and data analysis of ESI-MS sample TIC deconvolution results (11/21) Molecular feature match interface of ESI-MS sample TIC deconvolution (12/21) 1H-NMR segmented integration and components attribution interface (13/21) Chemometrics analysis of Two-way hierarchical clustering (14/21) Chemometrics analysis of Principal component analysis with loading and score result (15/21) Chemometrics summary view of Partial least squares discriminant analysis (16/21) Chemometrics analysis of Self-organizing map clustering result (17/21) Chemical pattern recognition summary view of support vector machine (18/21) User login interface accords with LIMS/21 CFR part11  (19/21) Users report preview and custom report settings dialog (20/21) Data figure snapshots and graph editor interface (21/21)
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Technical Parameters & Configurations

ChemPattern™ - the advanced chemometrics and chemical
fingerprintology solution

ChemPattern™ advanced chemometrics and chemical fingerprintology software solution endeavors to provide one-stop solutions for the high-throughput high-content analysis of complex systems, production in-process control, qualitative and quantitative quality evaluation and characteristic analysis, as well as various informatics, omics researches and big data mining tasks.

ChemPattern™ can be widely applied to traditional Chinese medicine and herbal medicine, chemical drugs, biologics, clinical medicine, food, agricultural products, tobacco, flavors and fragrances, petrochemicals, inspection and quarantine, environmental and forensic assessment, and other branch fields of analytical chemistry.

10.023ChemPattern™ Ultimate - The advanced chemometrics and chemical profiling solutions ( single license )
• For advanced quality control, qualitative and quantitative evaluation, and in-process control of complex system
• As well as high-throughput, high-content analysis, various types of omics, informatics research and big data mining
• Various types of analytical instrument data processing support and universial data interface technology
• Provide all kinds of chromatographic (LC, GC, CE, TLC) data analysis and processing
• Provide all kinds of mass spectrometric (QTOF / MS, DART / MS) data analysis and processing
• Provide all kinds of spectroscopy (NIR, IR) data analysis and processing
• Provide all kinds of NMR (1H-NMR and 13C-NMR) data analysis and processing
• Chemometric analysis of general data format are available
• Comply with Chinese Pharmacopoeia chromatographic quantitative determination and fingerprinting specifications
• Comply with ASTM E-1655 NIR multi-calibration quantitative technique guidances
• High-performance multi-thread parallel numerical computing and advanced chemometric analysis
• Support massive data batch processing, analysis, visualization and interactive display and result output
• Common pattern modeling, multivariate statistics, pattern recognition, artificial intelligence, data mining etc.
• Support multivariate techniques: principal component analysis, partial least squares regression, multiple linear regression,
• Multivariate analysis of variance, two-dimensional hierarchical clustering, self-organizing map neural networks etc.
• Support pattern recognition methods: k-nearest neighbor, partial least squares discriminant analysis, support vector machine,
• soft independent modeling of class analogy, self-organizing map neural network and cross-validation etc.
• Support similarity algorithms : cosine similairty, correlation coefficient, Euclidean distance, Mahalanobis distance etc.,
• Including 11 kinds of data pre-treatment algorithms, data reduction, and common pattern generation
• Non-linear editing system, supports web dynamic output of real-time analysis result and interactive figure display
• Support big data visualization, high-quality rendering of various instrumental data types and statistical charts
• 2D/3D chromatogram and mass spectrum display, including overlapping, mirror, boolean, derivation, and truncate etc.
• Statistical charts include 2D/3D scatter plot, dendrogram, histogram, contour plots, etc., more than ten kinds of
• Provides data static snapshots, support chart layout modification & publication-quality vector graphic editor
• All graphs and data tables can be exported to Microsoft Word, Excel, PowerPoint in custom format
• User interface, analysis result and report support languages ​​dynamica switch i.e. English/Chinese
• 300 pages color-printing user manual, installation manual and chemometrics white paper
• Different types of instrumental and analytical chemistry chemometrics solution examples available in demo database
• Software can be run on Windows XP/Vista/7/8 operating system, one year of free upgrade
10.025ChemProfiles™ analytical instrument data management system
• Chromatography, mass spectrometry and spectroscopy etc. massive analytical chemistry data management, storage and query
• Comply with the laboratory information management system (LIMS) requirements
• Comply with the electronic data and electronic signatures act (FDA 21 CFR part 11) requirements
• User account and access control, document electronic signature, data entirety validation, and log function
• Multi-thread working pipeline, support sample setting, editing and analysis in batch manner
• Analysis report support for custom content and format, WYSIWYG print preview
12.011
12.012
LC Profiler - Liquid Chromatographic Chemometrics Solution System
GC Profiler - Gas Chromatographic Chemometrics Solution System
• Supports ASCII, ANDY (AIA), J-CAMP and XLS etc. data format
• For HPLC, UPLC, GC and HPCE chromatogram analysis purpose
• Batch automatic integration, manual integration, background subtract, smooth, profile combination and truncate
• Support external standard method with calibration factors for multi-component quantitative determination
• Features include chemical reference definition, group calibration, automatic and manual calibration factor generation
• 2D and 3D chromatogram overlapping, profile calculation, retention time alignment, and common pattern modeling
12.013TLC Profiler - Thin Layer Chromatographic Solution System
• TLC / HPTLC digital chromatogram track location and digital scan with 7 kinds of scan mode provides
• Also suitable for quantitative evaluation of bioluminescence imaging and gel electrophoresis (PAGE)
• Supports up to 16-bits high dynamic range of chromatographic images (TIFF format )
• Batch automatic integration, manual integration, background subtract, smooth, profile combination and truncate
• Support external standard method with calibration factors for multi-component quantitative determination
• Features include chemical reference definition, group calibration, automatic and manual calibration factor generation
• 2D and 3D chromatogram overlapping, profile calculation, retention time alignment, and common pattern modeling
12.021TIC Profiler - Mass Chromatogram Solutions System
• Support MS ANDY (AIA) data format
• Applicable to GC/MS, LC/MS and TLC/MS chromatogram analysis with all kinds of mass spectrum resolution
• EIC, BPI, XIC etc., mass chromatogram generation, average spectrum, mass map (contour) plot, etc.
• Batch automatic integration, manual integration, background subtract and truncate
• Features include chemical reference definition, group calibration, automatic and manual calibration factor generation
• 2D and 3D chromatogram overlapping, profile calculation, retention time alignment, and common pattern modeling
12.022MS Profiler - Mass Deconvolution Solutions System
• Support MS ANDY (AIA) data format
• For soft ionization ion source GC/MS, LC/MS and TLC/MS data analysis
• EIC, BPI, XIC etc., mass chromatogram generation, average spectrum, mass map (contour) plot, etc.
• Batch automatic integration, manual integration, background subtract and truncate
• Mass deconvolution base on peak model techniques for accurate interpretation of co-eluted chromatographic peaks
• Typical LC/MS TIC deconvolution time less than 10s, with isotopic and adduct ions recognition
• Molecular feature matching, deconvolution component defination, and deconvolution common pattern modeling
12.023DART Profiler - MS/DART Solutions System
• Support MS ANDY (AIA) data format
• For DART-MS, MALDI-TOF-MS, ICP-MS methods
• EIC, BPI, XIC etc., mass chromatogram generation, average spectrum, mass map (contour) plot, etc.
• Batch automatic integration, manual integration, background subtract and truncate
• Mass spectrum fingerprint alignment, and mass spectrum fingerprint common pattern modeling
12.051NMR Profiler - Nuclear Magnetic Resonance Solutions System
• Compatible with ASCII / JCAMP / XLS data format
• For 1H-NMR and 13C-NMR analysis
• Support chemical shift reference, integration, background subtract and truncate
• Segmented integration and components attribution, NMR common pattern modeling
12.031IR Profiler - IR Solutions System
• Compatible with ASCII / JCAMP / XLS data format
• For infrared, near infrared and Raman spectroscopy data analysis
• Support absorption / transmission mode conversion, derivative, peak detection, smoothing, MSC/SNV baseline correction
• Infrared spectral alignment, infrared spectral common pattern generation
12.041ChemProfiler - Universal Chemometrics Data Solutions System
• Compatible with ASCII / XLS data format
• Applicable to all kinds of analytical chemistry, statistics and chemometrics data processing and analysis
• Support common pattern modeling, all data analysis functions are compatible with other ChemPattern solutions
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Terms of Application
  • A free 30-day tryout of ChemPattern™ ultimate edition is provided;
  • Due to limited number of licenses for free trial, tryout request from applicants will be examined and verified for this time being;
  • Accurate and detailed information about applicants will help to increase the possibility of approval;
  • An agreement should be signed between the applicant's company and us before trial usage.
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