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Hard and Soft Linking in Linux | Magnetic Field
https://ftnmr.wordpress.com/2015/01/17/hard-and-soft-linking-in-linux
Stories pertaining to Magnetic Resonance, Chemistry, Programming, and Life. Hard and Soft Linking in Linux. Sometimes it’s nice to have files accessible from more than one location on your computer, but to only actually have one copy of the file (it can save on drive space for really big files! The filename doesn’t show up as a link because it has the same properties as a normal file… file header information (stored in the filename1, including the inode number), which links to the data. To access this ki...
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nmr-analysis.blogspot.com
NMR Analysis, Processing and Prediction: Chemometrics under Mnova 9 - PCA
http://nmr-analysis.blogspot.com/2014/01/chemometrics-under-mnova-9-pca.html
Thursday, 9 January 2014. Chemometrics under Mnova 9 - PCA. This entry has been written by Dr. Silvia Mari, from R4R. Who has helped us to design and implement this module. Background: spectroscopy and chemometrics. 8220;For many years, there was the prevailing view that if one needed fancy data analyses, then the experiment was not planned correctly, but now it is recognized that most systems are multivariate in nature and univariate approaches are unlikely to result in optimum solutions.”. Tools into M...
nmr-analysis.blogspot.com
NMR Analysis, Processing and Prediction: Quadruplet, triplet … so simple?
http://nmr-analysis.blogspot.com/2014/12/quadruplet-triplet-so-simple.html
Sunday, 14 December 2014. Quadruplet, triplet … so simple? In the picture below I’m showing the ‘synthetic’ NMR spectrum of Ethanol. It has been synthesized using Mnova Spin Simulation. Capabilities and the experimental values (chemical shifts and couplings) taken from the NMR spectrum of ethanol recorded at 600 MHz in water, so the OH signal will not show up. But does this mean that this spectrum is actually composed by only 7 peaks? The answer is, of course not, there are many more peaks! For example, ...
nmr-analysis.blogspot.com
NMR Analysis, Processing and Prediction: PCA and NMR: Practical aspects
http://nmr-analysis.blogspot.com/2014/07/pca-and-nmr-practical-aspects.html
Thursday, 31 July 2014. PCA and NMR: Practical aspects. As of version 9.0, it is possible to perform. Data sets directly from within the. User Interface without having to resort to third party applications. The basic PCA functionality has been previously covered in this blog (. See Chemometrics under Mnova 9 – PCA. And in this entry we are going to discuss in more detail some more practical aspects, particularly on the different binning, filtering and scaling options. Choice of binning method: Sum vs Peak.
nmr-analysis.blogspot.com
NMR Analysis, Processing and Prediction: July 2014
http://nmr-analysis.blogspot.com/2014_07_01_archive.html
Thursday, 31 July 2014. PCA and NMR: Practical aspects. As of version 9.0, it is possible to perform. Data sets directly from within the. User Interface without having to resort to third party applications. The basic PCA functionality has been previously covered in this blog (. See Chemometrics under Mnova 9 – PCA. And in this entry we are going to discuss in more detail some more practical aspects, particularly on the different binning, filtering and scaling options. Choice of binning method: Sum vs Peak.
nmr-analysis.blogspot.com
NMR Analysis, Processing and Prediction: July 2011
http://nmr-analysis.blogspot.com/2011_07_01_archive.html
Tuesday, 26 July 2011. The bumpy road towards ASV. Figure: Photo taken during our bike climbing to Galibier (Lautaret) in the Tour de France 2011. So now I come to the purpose of ASV. I don't know of many (any) companies employing people to look at 50 spectra a day (except for specific, one-off projects). We at Mestrelab have been working for several years already to provide the most powerful and usable ASV software package. Of course, there's always room for improvement (as with the Alps, which we could...
nmr-analysis.blogspot.com
NMR Analysis, Processing and Prediction: Learn NMR FID
http://nmr-analysis.blogspot.com/2014/02/learn-nmr-fid.html
Friday, 28 February 2014. Last September, in SMASH 2013, I had the privilege of getting a personal demo from Tim E. Burrow of a cool iPad application he was developing that showed in a very nice way the basics of NMR data processing. This app simulates an FID and shows the effects on the corresponding FT spectrum when different apodization functions, zero filling or other time-domain operations are applied to the FID. Since that day, I nearly forgot about Learn NMR FID. In Glenn Facey’s blog.
nmr-analysis.blogspot.com
NMR Analysis, Processing and Prediction: Chemical Shift, Absolutely!
http://nmr-analysis.blogspot.com/2014/01/chemical-shift-absolutely.html
Tuesday, 7 January 2014. Chemical Shift, Absolutely! This entry has been written by Dr. Mike Bernstein - Thank you, Mike! We get help from a group working under the IUPAC [1] guise for their work in helping us calculate the chemical shift scale for all NMR-active nuclei [2]. That is, they provide us with a standard way to get the chemical shift precisely correct for any and all heteronuclear NMR spectra. That’s amazing - and hugely useful! So how does it work? Making it easy with Mnova. Note that by tapp...
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