B&W Tek has released updates to their BWSpec software, expanding the software supporting B&W Tek spectrometers, systems and accessories beyond spectral acquisition to a control and spectral analysis platform.
Luminata is an informatics system that organisations can use to implement effective impurity control strategies. It is based on the ACD/Spectrus platform and provides data standardisation and visualisation for substance impurity characterisation as well as the associated formation and fate of impurities using spectroscopic and chromatographic data. Luminata will be available from summer 2017...
MetID typically requires analysis of mass spectrometry (MS) data to identify metabolic “hot spots” and elucidate biotransformation pathways. This remains the primary challenge despite significant instrumental and software advances. MetaSense™ overcomes these challenges and allows users to save time and improve collaborations.
Menlo Systems’ TERA Image system extension for terahertz (THz) imaging has now been upgraded with the inclusion of EPINA’s ImageLab software for hyperspectral imaging.
Camo have released a Batch Modelling add-on for the Unscrambler X.
p>Thermo Scientific have introduced Pathfinder X-ray microanalysis software.
Version 10.4 of the Unscrambler X now includes Design-Expert from Stat-Ease
First Data Management has released the ATR Drug Kit for rapid screening of street drugs.
MKS Data Analytics has released SIMCA-online 14, which now has batch evolution OPLS that provides improved interpretation of process monitoring and the evolution level process model
Symbion Systems has introduced the EDX Experiment Design and Execution Module which automates the process of spectroscopic data collection and chemometric model development
CAMO have released a new version of their multivariate process monitoring solution, Unscrambler X Process Pulse II.
MKS Umetrics has released a new version of their Design of Experiments software, MODDE Pro 11, that further develops probability contour plots, design space estimates and Proven Acceptable Range communications. It also introduces optimised combinatorial designs for stability testing and other reduced multi-level combinatorial studies and includes functionality for creating designs, analysing...
Tony Davies, Peter Lampen, Stephen Heller and Evan Bolton report on the future of the spectroscopic data collected as part of the EuroSpec programme. Its long-term preservation is being guaranteed through the PubChem Project of the US National Library of Medicine.
Tony Davies and Mohan Cashyap are concerned about your NMR data. When an article starts “On 10 October 2014 the impossible happened”, you will want to take note! Following the withdrawal of Agilent from the NMR business, Tony and Mohan consider three solutions to ensuring your NMR data is available now and into the future. If you have an NMR of any make, you will want to read this. Do remember...
In the Tony Davies Column, Tony (A.N.) Davies and Mohan Cashyap introduce us to the potential for Cloud Computing in the lab. This is the first of a two-part contribution, and, for the second part, they need your help with your experiences of Cloud Computing in your lab or organisation.
Robert Lancashire reports from the Chemical Information Division (CINF) of the American Chemical Society meeting at their recent 246th ACS National Meeting and Exposition.
Tony (A.N.) Davies and Robert Lancashire remember Bob McDonald who co-authored the first JCAMP-DX standard for infrared spectroscopy.
This Tony Davies Column is contributed by Karl Norris, known to many as “The father of near infrared spectroscopy”. He introduces his calculation method for fourth derivatives and shows how it can be used to extract instrument noise.
1H NMR spectra are usually interpreted by hand, which is very time consuming, and can become a process bottleneck in fields such as high-throughput NMR. Greater automation of the spectral analysis process has become essential if NMR is to be of value as a high-throughput analytical method in the future.
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...
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...
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.
Professor, SERC, Department of Science and Sport, Faculty Health, Sport and Science, University of Glamorgan, UK, Director, ALIS Ltd, and ALIS GmbH—Analytical Laboratory Informatics Solutions
I would like to thank everybody who has taken the trouble to respond to my last column on Educating Spectroscopists.1...
External Professor, University of Glamorgan, UK, Director, ALIS Ltd, and ALIS GmbH – Analytical Laboratory Informatics Solutions
“The man who gets the most satisfactory results is not always the man with the most brilliant single mind, but rather the man who can best coordinate the brains and talents of his associates.”—W. Alton Jones...
External Professor, University of Glamorgan, UK, Director, ALIS Ltd and ALIS GmbH—Analytical Laboratory Informatics Solutions
There are more things in Heaven and Earth Horatio,
Than are dreamt of in your philosophy.
Yes, the children are now studying Hamlet at school and this seemed an appropriate quote to...
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