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Bruker Daltonics
Brochure ProfileAnalysis

Brochure ProfileAnalysis

Product catalog summary

Overview: The document discusses the ProfileAnalysis™ software, a tool designed for the statistical evaluation of LC-MS data, particularly in metabolomics and profiling applications across drug discovery, clinical research, and food science. It emphasizes the need for rapid analysis of complex samples and the use of pattern recognition techniques to identify differentiating compounds.

Key Features:

Dimensionality Reduction: Utilizes Principal Component Analysis (PCA) to reduce data dimensionality while retaining essential information. PCA helps visualize sample distribution and ranks variables based on variance.
Data Preparation: Involves a bucketing step where RT-m/z-buckets are defined, and corresponding intensities are recorded for each sample.
Statistical Analysis: Includes tools for model building such as cross-validation and direct interaction with original LC-MS data for fast compound identification using accurate mass and True Isotopic Pattern Analysis (TIP™).

Evaluation Process:

Acquisition: LC-MS analysis involves a sequence of measurements over time.
Evaluation: Data is loaded into ProfileAnalysis, prepared in a bucket table, and analyzed using PCA.
Interpretation: PCA highlights variance distribution and identifies RT-m/z-pairs responsible for variations.
Feedback: Compounds are identified using accurate mass and SigmaFit™ or MS/MS spectra with library search.

Visualization Tools:

Bucket Table: Organizes RT-m/z buckets and intensities in a spreadsheet format.
Bucket Density View: Graphically illustrates the bucket table.
Plots: Includes Influence Plot, Scores Plot, Loadings Plot, Hotelling’s T2 Plot, and Explained Variance Plot for comprehensive data visualization.

Technical Specifications:

Preparation of LC-MS data for multivariate statistics with various normalization options.
Efficient PCA visualization and model validation through test set and cross-validation.
Export capabilities in ASCII format and customizable reporting layouts.
Supported instruments include various HPLC, fastLC, CE models, and specific Bruker Daltonics instruments.

Trademarks and Contact Information: The document lists trademarks such as MATLAB, SIMCA-P, and various Bruker Daltonics products. Contact details for Bruker Daltonics in Germany and the USA are provided for sales and service inquiries.

All Bruker Daltonics catalogs and technical brochures

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*Prices are pre-tax. They exclude delivery charges and customs duties and do not include additional charges for installation or activation options. Prices are indicative only and may vary by country, with changes to the cost of raw materials and exchange rates.

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