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.
The Pittcon 2017 Williams-Wright Award has been made to Slobodan Sasic.
Shimadzu has released the first EDX-FT-IR contaminant finder/material inspector, which integrates and analyses data acquired from both an ED XRF spectrometer and a FT-IR spectrophotometer.
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.
Xavo and BSSN Software have announced a collaboration that integrates Seahorse Scientific Workbench and Xavo Lab Logistics. The joint solution enables customers to review analytical and biological screening results in the context of their sample management system. This end-to-end integration of instrument data into the screening workflow will lead to faster results, improved data quality, and...
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...
Axiom Analytical provides a broad line of laboratory and process probes, flow cells, multiplexers, software, services, and systems for near-IR, mid-IR, UV-visible and Raman spectroscopy.
Shimadzu is a world-leading manufacturer of analytical instrumentation. Shimadzu develops and manufactures innovative products for HPLC, LCMS, GC, GCMS, UV/VIS, FTIR, AAS, TOC, Life Science and Testing Machines.
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...
Following on from the two recent articles on how the Cloud may be impacting the availability of scientific software delivery for spectroscopists, this article looks at what the wider commercial spectroscopy software providers have been doing in this area.
This is Tony’s last column for Spectroscopy Europe. It is explores an idea that he has been developing for over 30 years, although as Tony points out the story starts around 3500 years ago.
Tony (A.M.C.) Davies continues on his last furlong, this time considering “Classification and identity testing”. As well as some interesting insights into the analytical lab in the late 1960s, he gives his opinion on various chemometric techniques and on identity testing, as well as thoughts on future development.
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.
Tony (A.M.C.) Davies looks at Multiple Linear Regression (MLR) this issue, as well as expressing his opinions about Principal Components Regression (PCR) and Partial Least-Squares (PLS).
Tony (A.M.C.) continues down the last furlong of his series of Tony Davies Column articles. This issue, he considers principal component analysis (PCA). Using research recently published in the Journal of Near Infrared Spectroscopy, he explains that PCA is a very useful tool but it will not solve all our problems. Two old articles on PCA, including Tony’s concept of the “Data Cake”...
Robert Lancashire reports from the Chemical Information Division (CINF) of the American Chemical Society meeting at their recent 246th ACS National Meeting and Exposition.
Now that Tony understands wavelets, he is in the perfect position to explain them to the rest of us! Whilst wavelet compression is an interesting and popular method, it is worth confirming that there is a real benefit in using them compared to FT compression, especially for near infrared spectra where there are few regions of flat baseline.
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