Mass Spectrometry & Spectroscopy

  • Aggregating All Analytical Data and Accessing It Anywhere

Aggregating All Analytical Data and Accessing It Anywhere

Apr 30 2020 Read 657 Times

To build conclusions, scientists must draw upon many sources of data. Yet analytical data is often scattered across many computers, instruments, and incompatible data formats, making it difficult to grasp all the evidence at once. Also, proprietary software and formats trap data in silos, as scientists must process it at specific workstations.  

A software platform that handles all types of analytical data would reduce these inefficiencies. Enter ACD/Spectrus Platform. A vendor-neutral platform, Spectrus® handles data from most instrument-vendor formats and all major techniques, including NMR, LC/MS, GC/MS, IR, and Raman. With Spectrus, scientists can process, analyse, and store interpretations, linking all the evidence gathered during sample characterisation.  

Spectrus serves as the foundation of ACD/Labs analytical-data–handling software. Of the various applications on the Spectrus Platform, ACD/Spectrus Processor is the introductory tool that provides basic data processing and analysis features, including spectral interpretation, peak integration, and database search. It allows users to view and compare all data, and to process and report it uniformly, even if it was gathered from several techniques and instruments. Users need only learn one software interface to handle all their analytical data.

For those who need more advanced tools, including database creation, technique-specific software provides features for method development, LC/MS data handling, and more.

ACD/Method Selection Suite guides chromatographers to develop high-quality, robust methods. With physicochemical-property prediction and column selection tools, scientists can choose a rational initial method. They can then optimise this method with 3D optimisation, simulated chromatograms, and resolution maps. The successful methods are stored in an internal database so colleagues can easily find and adapt them in the future.

For MS, scientists can perform advanced analysis with ACD/MS Workbook Suite. The software provides tools for deconvolution, structure assignment, database search, fragment prediction, and more. It even automates routine analyses so users can get results faster.

Whatever combination of techniques and instruments is needed, ACD/Labs software will handle and connect the experimental data.

ACD/Labs software helps scientists break free of the analytical lab for data processing. Rather than being tied to the instrument computer, ACD/Labs users can view, process, and manage their data at their desk or at home. Spectrus solutions can be configured to automatically pull raw or processed data from instruments into Spectrus applications for review, or reports may be delivered directly. Experimental results are accessible while the instrument is running the next experiment, or even while the lab is closed or inaccessible.

With ACD/Labs software, scientists can move away from data silos within the lab. Wherever they are, they can aggregate all their analytical data to better understand their experiments, confirm their results, and convince others of their findings with the analytical proof.

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