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Umetrics announces the release of version 12 of FabStat, which combines multivariate techniques with semiconductor FDC know-how based on the SIMCA-P+ multivariate platform. It is a stand-alone application designed to seamlessly integrate into existing fab data management systems. It monitors the entire production line—each tool, wafer by wafer. When a fault occurs, it instantly identifies the out-of-control tool and points to the culprit signals. Features of this new version include handling of hierarchical models, supporting PLS models, supporting PLS-DA models and improved log messages.
Thermo Fisher Scientific has announced the availability of its MetQuest software solution which enables laboratories to take full advantage of their Orbitrap mass spectrometry high-resolution, accurate-mass, full-scan data to perform quantitative metabolic stability studies and identify putative metabolites in a single injection. The software enables researchers to routinely perform quantitative and qualitative analyses in the same run. The processing methods in the software have been specifically developed to automatically process full-scan high-resolution data for compound identification from even the most complex biological matrices without the need for pre-defined mass-to-charge values. The software does not require MS/MS method development and optimisation, so acquisition methods are simple to set up and a single method can be used for multiple compounds and the automated generation of metabolic stability plots from the processed data saves time.
Thermo Fisher Scientific
Instrument Systems has announced the latest version of its SpecWin Pro software. Version 1.5 features add-on modules that have been optimised for specific applications. The DTS module enables automated display measurements with the DTS 500, a positioning system with five axes. It determines viewing angle-dependent properties of displays and LED modules in various coordinate systems. A 3D diagram depicts spatial radiation patterns obtained from goniometer and DTS measurements. The Commander module enables the user to automatically conduct series of measurements using all the parameters of a measurement set-up, including a positioning system or goniometer. This new version also features extensive sorting, grouping and filtering functions for better analysing and structure measurement results.
Time for a good whinge (“complain persistently and in a peevish or irritating way”—Oxford Dictionaries Online) and to get a little controversial. Having had a year to look at the resources available to us to help educate our budding spectroscopists, I have been disappointed that much of the educational resources available online appear incomplete or outdated. For a generation of students brought up in schools with interactive whiteboards, good quality spectroscopic teaching materials of this nature are almost non-existent.
I recently “discovered” a very interesting radio programme on BBC Radio 4. It is “devoted to the powerful, sometimes beautiful, often abused but ever ubiquitous world of numbers”. A few weeks ago we were asked to say what we were doing while listening to the programme. The next week we were told that nearly 2000 e-mails had been received and this data had been given to information designer David McCandless to turn into a graphic. When this was trailed I got the impression that something new and exciting was going to be displayed and I thought that the graphic would include sound. The graphic is good but rather “ordinary” and I was disappointed. This got me thinking about how we display information. Have we made any advance in the last 25 years? Could sound be used!
The potential impact of lipid research has been increasingly realised both in disease treatment and prevention. Recent advances in soft ionisation mass spectrometry (MS) such as electrospray ionisation (ESI) have permitted parallel monitoring of several hundreds of lipids in a single experiment and thus facilitated lipidomics level studies. These advances, however, pose a greater challenge for bioinformaticians to handle massive amounts of information-rich MS data from modern analytical instruments in order to understand complex functions of lipids.
Analytical Information Mark-up Language, better known as AnIML, has been around as a concept for a number of years, but how does an analytical chemist use it in the "real" lab? A team of R&D scientists at LGC has been finding out.
Bio-Rad Laboratories has announced the availability of several new spectral databases.
Symbion Systems has announced the release of its driver for Kaiser Optical Systems RamanRxn systems analysers.
Thermo Fisher Scientific has released Version 9 of its GRAMS software. The suite is comprised of a collection of complementary and fully integrated applications and modules centred on the core GRAMS/AI spectroscopy data processing and reporting software, with advanced processing routines, data comparison and visualisation features and the ability to handle data from any analytical instrument.
Version 8.2 of the KnowItAll Informatics system from Bio-Rad Laboratories now includes a new tool for spectral interpretation.
Bruker Introduces MS Workstation 7 Software for New Chemical Analysis Gas Chromatography Triple-Quadrupole Mass Spectrometers
Bruker Daltonics' new Chemical Analysis business announced the release of MS Workstation 7, the next generation software package for the newly acquired 3x0 series GC triple-quadrupole (GC-QQQ) mass spectrometers. MS Workstation 7 features Scheduled Multiple-Reaction Monitoring (s-MRM), which facilitates method development, maintenance and data reduction tasks for challenging multi-component methods.
PANalytical has extended the compatibility of its Omnian standardless analysis software to include the benchtop MiniPal 4 XRF spectrometer. This combination provides quantification of unknowns in situations where certified standards are not available. Omnian provides elemental analysis of all materials no matter how they have been prepared. Typical applications include rapid screening, comparative analysis and R&D investigations.
Shimadzu Scientific Instruments and Camo Software have announced a partnership that will enable Shimadzu in which Shimadzu will provide Camo’s multivariate data analysis software, The Unscrambler® to FT-IR customers requiring chemometric analysis.
This 64-bit data acquisition software for spectroscopy and scientific imaging from Princeton Instruments provides comprehensive control of PI cameras and spectrometers, automatically saves data to disc during acquisition, applies time stamp, retains both raw and corrected data with full experimental details,and is compatible with 64-bit Windows 7 and Windows Vista.
Analyze IQ Ltd has released Version 1.2 of the Analyze IQ chemometrics software suite, which works with Windows 7 (32- and 64-bit) and earlier versions of Windows. A number of new file formats are supported, including JCAMP-DX, SpectroML and AIQ. New features include a model driven paradigm that separates model-building from model usage, so that you can package and deploy chemometric knowledge and analysis and storage of mixtures data.
The new SimPlus software from Perten Instruments allows users to monitor and administrate multiple DA 7200 instruments (on-site or remote installations) from one location, access data and results, update calibrations and create reports.
Thermo Fisher Scientific and Symyx Technologies are working on a joint product development to provide scientists in the bioanalytical community with an automated, secure and seamless laboratory workflow by integrating Thermo Scientific Watson LIMS with Symyx’s electronic lab notebook. www.thermo.com/informatics, www.symyx.com
With the addition of the new Sadtler HNMR Chemical Shifts database from Bio-Rad, HaveItAll NMR now includes chemical shift data of 20,391 more compounds, each being identified by chemical name, solvent used in the analysis, instrument name, chemical structure, molecular formula and molecular weight.