iNMR news #105
GB, author of iNMR
iNMR 7.1.1: The Most Significant Revolution in 13 Years is Here!
Dear Users,
Today I have finally published iNMR version 7.1.1 for both Windows and Mac.
I have good reason to believe that this is the most important update of the last thirteen years. Some might think the compilation for Apple Silicon processors a few years ago was the big milestone, but in practice, it wasn't. The old versions still worked fine, so you didn't really feel a major benefit. This time, however, the advantages are many, and you’ll feel them immediately.
The Return of the SwanThe first thing you will notice is the new icon. The little NMR tube is gone, and in its place is a swan. If you are a keen observer, you’ve seen this swan on my website for years.
Back in 2005, when I started writing iNMR, I had the colored swan ready as the icon (you can still see the stylized 1994 SwaN-MR icon at http://www.inmr.net/seven.html). But as soon as I released "version zero," a user emailed me that icon with the tube and the "iNMR" text that you’ve seen in versions 1, 2, and 3. He also sent the document icons we still use today. So, the swan was pushed aside, surviving only as a tiny favicon in browser tabs.
Fast forward to today: Apple decided that all app icons must be flat and "squircle" shaped. If I kept the tube icon, the whole image had to be shrunk down to fit. I wanted something big and bold, so I went back to the swan. It’s an actual photo I took myself many years ago, back in the days of film. It’s not as sharp as a digital drawing, but I think it works. When I look at it, I feel half the age I am now. For some of you, it’s new; for those who used SwaN-MR in the last century, it will feel just like home.
I hope this icon becomes a symbol of rebirth. iNMR has suffered too much from commercial competition and market politics. Its intrinsic quality has never been in doubt. It’s time for iNMR to return to its rightful role: the friendly, elegant tool that no one—at least no one who has tried it—would want to be without.
NUS and Parallel ComputingBack in 2005, I heard about a new technology for 2D spectra that went beyond the classic Fourier Transform (NUS). At the time, I gave it low priority because I wanted to focus on what users were actually asking for—and back then, no one was asking for NUS. How times have changed! Years ago, I’d get suggestions or requests once a week; now, it’s much quieter.
Recently, users started complaining that iNMR wasn't handling a certain type of spectra well. On March 19th, someone wrote just five words: “Be nice to have NUS.” Less than a month later, we have it. iNMR now automatically recognizes these experiments and applies the necessary algorithm. You can see a preview here: https://youtu.be/ETiluQ620V8.
Since these algorithms are incredibly demanding (thousands of times more than an FT), I’ve introduced parallel computing. By using all the cores of your CPU, calculation times are 4 to 8 times faster. A 2D spectrum now processes in about a second. I’ve also parallelized spin system and chemical exchange simulations. On my old 2021 iMac, you can now simulate a 13-spin system in less than ten seconds.
For Mac users, there is a vital fix. In recent years, Apple decided that whenever a "window-modal" dialog appears, the parent window should be partially obscured by a grey layer. For iNMR, this was a disaster: you need to see exactly how the spectrum changes while you are interactively adjusting the baseline, integration, or visual weighting.
Two years ago, I finally found a remedy for this "grey-out" problem. Version 7 includes this fix; version 6 does not. If you are on a modern Mac, the 60 Euro upgrade is a great investment just to get your visibility back.
Other Improvements and NewsWindows Parallel FT: 2D Fourier Transforms are now parallelized on Windows too. I haven't been able to test it myself (I don't have a multi-core PC), so let me know how it goes!
Original Parameters: The Edit > Original Parameters command works much better now for Bruker, Varian, and Jeol.
Restored Bridges: I’ve fixed the links to NMR Predictor (Video) and Open Babel (Mac only, Video).
YouTube Channel: I’ve started a channel with videos under two minutes. Check it out to save yourself some time: iNMR YouTube.
I am suspending the student discount. It has been around so long I don't even remember when it started, but these days, most students are reimbursed by their universities anyway. Instead, I’ll offer short, free trial licenses (1-2 months).
iNMR needs new licenses to survive as a commercial product. I’ve created a new page for small private labs: http://www.inmr.net/factory.html. It’s an irresistible offer—please help me spread the word.
Stay tuned, because there is more to come: new functions, new videos, and new initiatives.
Best regards,
Giuseppe Balacco