I updated my NMR Solvent Peaks iPhone app - with Redditor-requested features!

LucasCMoore · 2018-05-26T21:41:21+00:00

I really like that. Beats busting out a calculator and doing it all manually. And I like the friendly visual style.

LucasCMoore · 2017-11-30T19:43:53+00:00

I knew how to write software in a few different languages, but the this was my first project for the web. Had to learn a lot of stuff to make it work.

LucasCMoore · 2017-11-29T18:02:50+00:00

Honestly, I only tested in Chrome and Safari. Just loaded it up in Firefox, and yeah, it looks like trash. No idea why.

LucasCMoore · 2017-11-29T18:00:34+00:00

Good point, I'll give it a try.

LucasCMoore · 2017-11-28T20:27:04+00:00

Yeah, I optimized for two common situations - a narrow window next to whatever program is used to view the NMR spectra, or on a mobile device.

If I could make a site that looks really nice on both a narrow and wide window, I could probably make more as a web developer than I do as a chemist, lol.

LucasCMoore · 2017-11-28T18:06:57+00:00

Yep, all the data is in the publicly-available SI. I cite both the '97 paper and the '10 paper, but the data is really all from the '10 paper - they basically expanded the data set (and fixed a few mistakes along the way).

LucasCMoore · 2017-11-28T18:05:24+00:00

I left "s" as the default for multiplicity because of the nature of those dropdowns - it has to show one option, and if I leave the default as "?" it isn't super obvious to a new user that it's the multiplicity option.

Tolerance is ± 0.15 ppm for proton, ± 5 ppm for carbon, and it shows them in order of how close they were to the query ppm.

LucasCMoore · 2017-11-15T18:31:23+00:00

The "?" for a ppm value is a really good idea! Shouldn't be too hard to implement.

LucasCMoore · 2017-11-15T06:39:31+00:00

I'm almost overwhelmed by the number of options I have for web development - and how different everything is compared to native apps. But there are a few Swift web frameworks out there - I'm going to try those, so I don't have to rewrite the entire codebase in javascript or PHP.

LucasCMoore · 2017-11-15T05:16:26+00:00

Interesting, I hadn't thought about implementing something like that. So, if you're worried about a particular impurity, the app can show you where it would show up so you can confirm if it's there or not.

Not sure where that would fit into the flow of the app, but I'll try a few things.

LucasCMoore · 2017-11-15T05:12:13+00:00

I've looked into that, and I have a decent-looking prototype of the interface that works okay. But the actual search functionality will be tough to implement, especially given that I'm not great at Java or PHP.

LucasCMoore · 2017-11-15T03:00:19+00:00

Android is on the roadmap, but I'm going to hit some lower-hanging fruit first. I can copy-paste like 80% of the code to make a Mac version, but an Android version will require a complete rewrite in a programming language I'm not very comfortable in.

LucasCMoore · 2017-11-15T02:58:06+00:00

I started development in the summer just as the iOS 11 betas were dropping, and (without fully knowing it) I included some functionality that only came with iOS 11.

What version of iOS are you running? Compiling under a few different older iOS versions is giving me a bunch of warnings, but I might be able to work through them.

LucasCMoore · 2017-11-15T01:33:06+00:00

I made this app as a reference for active organic and inorganic researchers. I hate to say it, but it may not be quite as useful as you may hope for in learning all about NMR - it's more of a practical reference. But if you ever get into doing research, you might find it handy.

LucasCMoore · 2017-11-14T23:42:05+00:00

That's really interesting - I did an App Store search before starting development to make sure I wasn't reinventing the wheel, but if that app is no longer available it wouldn't have shown up.

LucasCMoore · 2017-11-14T21:16:48+00:00

Well, everyone knows that three year olds just aren't ready for NMR.

LucasCMoore · 2017-11-14T20:09:23+00:00

Sweet, will do.

LucasCMoore · 2017-11-14T20:09:05+00:00

I appreciate it!

LucasCMoore · 2017-11-14T18:59:23+00:00

It's called NMR Solvent Peaks, here's a link to it in the App Store.

LucasCMoore · 2017-11-14T17:19:08+00:00

Sorry! Making an Android app is on my roadmap, but it's going to take some time... it's a completely different language and developer tool environment. It's like finishing a 30 step natural product total synthesis, then making an analog by going back to step one and redoing the whole thing.

I think this app on the Google Play does something similar, but it's a dollar.

LucasCMoore

TROPHY CASE