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ACD/Labs Blog

Ryan Sasaki
To follow my post from yesterday, Rich made a very interesting comment that I was hoping to address in today’s post. He suggests that perhaps a NMR Lite would be a good approach. I gave reason as to why we didn’t take that approach and strip away existing features from 1D NMR Processor when developing...

Ryan Sasaki
Do you currently use NMR for quantitative analysis? At the University of Ottawa NMR Facility Blog, Glenn Facey provides some acquisition tips for 1H NMR spectra. If you perform quantitative analysis on your spectra, how do you do it? Do you do it manually by hand, or do you use some software to help? I...

Ryan Sasaki
One of the unique features that ACD/Labs software has embraced over the years is something called spectrum-to-structure integration. It’s the idea of not only attaching a chemical structure to a piece of analytical data but to also assign that data to pieces of the chemical structure. This topic gives me a good opportunity to show...

Ryan Sasaki
Last week I blogged about Phil Keyes’ and Anthony Macherone’s applications of NMR software towards automated structure confirmation. A few months back, I pointed you to Steve Coombes’ workflow when working with ACD/Structure Elucidator. Phil had a very nice section in his presentation about the “fringe benefits” he was able to derive outside of the...

Ryan Sasaki
Several months ago, I asked, “How Accurate Should NMR Predictions Be?” Today, I ask how accurate and consistent are actual experimental chemical shifts? In many ways, this post probably should have preceded the one I linked above because in reality, before a discussion about prediction accuracy can begin, the topic of experimental accuracy needs to...

Ryan Sasaki
For those of you out there who do Metabonomics (or want to), you might be interested in learning more about what ACD/1D NMR Processor can do to help you process and analyze your data. Here are some things you should consider when evaluating software for this use: Very good processing algorithms are required. It think...

Ryan Sasaki
I’ve blogged and pointed a little bit to the ChemSpider service over the last few months. It’s a service that my former colleague, Tony Williams along with others is working on, so I think it has great potential. It looks as if they have taken another step in the right direction by allowing users to...

Ryan Sasaki
To follow up with my post on the “Curse of Knowedge” I thought I would make an attempt to share some more things that we dangerously “assume” you know about, but in fact, you might not. Here, in my opinion, are 5 of the best kept secrets in our NMR software. Features, products, and applications...

Ryan Sasaki
I recently read a great book by brothers, Chip and Dan Heath called Made to Stick. It’s basically a book about how to make ideas stick. It’s a terrific read and I would highly recommend it to anyone who teaches chemistry, NMR, or anything for that matter. There are some great insights in the book....

Ryan Sasaki
Seth Godin is my favorite author and probably the biggest motivator behind my decision to create a blog about our NMR software.  He just released a new book called, “the dip” (a short but inspirational read). What’s The Dip? The best (and perhaps most relevant) example for this audience Seth gives in his book is...