NMR software

AMIX

Explore the spectral data: the incomparable spectroscopy and the integration of metabonomics.

Introduction to the

Unparalleled spectroscopy and the integration of metabonomics

Brooke AMIX program provides a series of powerful tool, enabling you to make the most of your data.AMIX offers many integrated routines for statistics and spectrum analysis.To improve the productivity of a variety of applications, such as metabolomics, the mixture of small molecular research and analysis.

The combination of NMR and MS data analysis is extremely unique.In many applications, such as structure, they confirm each other, and in other applications, such as metabolomics, they are complementary.You will benefit from a customizable user interface, and the performance of the highly optimized.In addition to general analytical tools, we also for the application of different offers a special kit.They can be run separately, and also can run in combination mode.AMIX适用于Windows、Linux和Unix平台。

AMIX kit includes mainly

  • Protein ligand screening
  • Small molecular structure
  • The analysis of the complex mixture test
  • Spectrum based
  • metabolomic

Characteristics of the

  • Simple assessment of up to four dimensions of multimodal data
    (NMR, LC - NMR, MS, and LC - MS, FT - MS, UV)
  • A complete set of spectrum analysis tools, including spectrum algebra, pattern recognition, pattern exploration, qualcomm tool and complete peak and surface analysis and data matching
  • A series of data manipulation and data management tools used for preparing the spectrum and build your own foundation spectrum
  • A SQL interface, can choose directly in the ORACLE database storage and use of the spectrum
  • Used for relative or absolute quantitative tools, including through the linear modeling integrated analysis of the peak, peak, maximum entropy method and quantitative model
  • A command mode that allows the other program environment (for example) in the program of TopSpin Au executive bucket list calculation and spectral matching, and other important functions

application

Protein - garland screening

Technology based on receptor

  • Automatic HSQC comparison to detect spectral changes
  • PCA analysis, in order to distinguish the source of the change
  • Spectrum allocation between the transfer
  • The peak tracking titration series
  • Table statements, such as peak distance, size and the line width

Based on the gong technology

  • A D automatic matching technology
  • Understand: 1 d, STD, LOGSY and CPMG analysis, with no rivals ligand
  • The setting of SeeDs
  • Automated SeeD
  • Combining data view
  • TAB statements

The analysis of the complex mixture is analyzed

AMIX provides for identification and quantitative analysis of the complex mixture module.Spectra and molecular information provided in the spectral library and the knowledge base.It is suitable for the 1 d and 2 d NMR and LC - MS spectrum.

  • Using spectra of reference data base, through the spectrum matching is used to identify the more secure
  • 1 d, COSY, TOCSY, HSQC and LC - MS combination of recognition
  • In the knowledge base to provide detailed information including signal coupling and multiplicity
  • Using 1 d or 2 d HSQC spectrum quantitatively
  • May be relative and absolute quantitative
  • Different quantitative techniques including normal consolidation, the linear analysis, the maximum entropy method
  • Fully interactive control results
  • Report provides a brief and detailed version, format, including text, HTML and XML
  • Result table can be used for input of PCA analysis method (target)

metabolomic

AMIX fully integrated the NMR, HPLC, and the LS - MS spectrum analysis and statistical analysis of data, in order to better find effective metabolism results.

  • Different methods of buckets, including import external table
  • Pca, Simca, Pls, Pls - da, prediction
  • Cross validation and test sets
  • Model building technology
  • From a score, influence and hotel figure full spectrum
  • Direct links between the load and spectral region
  • Flexible display Settings
  • The connection between the load and spectrum base, used to identify compounds
  • From quality load direct summation formula
  • Variable distribution analysis, to detect adjust up and down
  • Analysis of covariance
  • Combination of covariance analysis
  • Connection with external property sheet
  • Combined with the results of the analysis

The technical details

Spectrum and database

AMIX contains all the necessary tools to build your own spectroscopy or use brooke's business base.Before stored in special compressed format, will clean up and distribution of Spectra.Automation and history tracking allows fast batch processing.User defined key, molecular information and links to external database can be attached to the spectrum.In the disk (such as ORACLE or SQL database can be stored.All the major AMIX toolkit has efficiently select data.

  • Prepare tool suite to clean up the spectrum
  • Provides automatic and batch cleaning tools
  • Through the history mechanism to clean up tracking
  • Connect user defined key, efficient choice from the spectral base
  • Multiple alternative compound name
  • Spectral base may contain a D and 2 D NMR data and molecular structure
  • AMIX can handle multiple spectrum
  • Spectra base access can be used in any application, for example, links to load of metabonomics analysis