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Tag: Software Ordering

International standards need to keep pace with the innovation in analytical equipment and practices. For example, many of the advances in nuclear magnetic resonance (NMR) spectroscopy reported in this journal in recent years have yet to find themselves mirrored by updates in the respective Recommendations of the International Union of Pure and Applied Chemistry (IUPAC), nor in the many and varied proprietary recommended reporting formats of the different peer-reviewed primary scientific journals. Not that every innovation needs to be “standardised”: with the speed of many developments it is important to find the right balance between reacting to real movements in a field and enshrining a short-lived fad in a IUPAC Recommendation.

Camo have released a Batch Modelling add-on for the Unscrambler X.

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ACD/Labs has launched MetaSense, an automated metabolite identification platform.

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Version 10.4 of the Unscrambler X now includes Design-Expert from Stat-Ease.

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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.

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Symbion Systems has introduced the EDX Experiment Design and Execution Module which automates the process of spectroscopic data collection and chemometric model development..

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Camo Software and Stat-Ease have released a software bundle for multivariate data analysis and design of experiments: The Unscrambler X Design-Expert Upgrade.

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MKS Umetrics has released MODDE Go, a competitively priced, easy-to-use Design of Experiment (DOE) and optimisation software.

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Bio-Rad has announced a new release of its KnowItAll spectroscopy software.

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CAMO have released a new version of their multivariate process monitoring solution, Unscrambler X Process Pulse II.

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Camo Software and Stat-Ease have released a software bundle for multivariate data analysis and design of experiments: The Unscrambler X Design-Expert Upgrade.

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MKS Umetrics has released a new version of their Design of Experiments software, MODDE Pro 11.

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In the Tony Davies Column, we learn about “Automated detection of counterfeit drugs using multimodal spectroscopy and advanced web-based software platforms”. With the increase in trafficking of counterfeit medicines and other products, there is a need for definitive results from an on-site analyser useable by customs officers. The German authorities have commissioned the development of a multi-modal, transportable inspection system, including intelligent data processing and evaluation, for fast spectroscopic recognition of illicit drugs and counterfeit medicines. This is described in the column.

The Thermo Fisher Cloud computing platform now supports proteomics data with a new module, based on the ProteinCenter software.

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The Lipidyzer Platform is an integrated solution that enables scientists to rapidly identify and quantify over 1000 lipid molecular species.

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.

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Allotrope Foundation

Allotrope Data Format 0.2

The Allotrope Foundation is developing a data architecture for all laboratory data. The Allotrope data format (ADF) stores data and the associated contextual metadata in a format derived from publicly available data standards to overcome the difficulties with data exchange between proprietary formats.

link.spectroscopyeurope.com/27-02-093

PerkinElmer

Spotfire

Creates advanced data visualisations from one instrument or a series of instruments. Once imported, data is automatically analysed and visualised using pre-built dashboards (available for atomic, UV and infrared spectroscopies, as well as LC and GC) or one of your own design. Data sets can be compared, multi-dimensional data explored and the user can drill down to specific data points and represent the data in multiple formats.

link.spectroscopyeurope.com/27-02-094
Tags: Software

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 that you can comment on the web version of the article.

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Camo have introduced Service Pack 2014 for the Unscrambler X offering several new features including faster convergence of methods, new and improved plots and a new and improved recalculate menu.

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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.

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