Eric R. Scott

Can I do anything with tulsi besides dry it for herbal tea? I have so much right now!

#gardening #cooking #tulsi

This morning, I am becoming increasingly bitter by the minute. Not even the smoothest shu #puer is slowing it. Maybe I needed bitter #tea to counteract the bitterness in me or something?

Needed about 4 steepings of some sheng puer to get going this morning. Morale is low!

#tea #puer

Today:
1. Caffeine (#puer #tea?)
2. Music (Larry June?)
3. Delete a whole bunch of unused code from a project I refactored.

I recently did a live demo of a "reproducibility audit" for @us_rse. Check it out: https://www.youtube.com/watch?v=Q2ZsLbBkWrk

#ReproHack #reproducibleresearch #codeReview #rseng

I think this is the *worst* model diagnostics I've ever seen. I had to laugh out loud when I saw it. What a way to start a friday.

#statistics #GAMs #EcologicalModeling

Just chillin' in a coffee shop waiting for an email from #UofA administration about the latest in the shitshow that is the US government.

Shouts to #Kendrick for acknowledging #LongCovid

I guess I hadn't realized the SSH connector for #Positron is now working. So far works like a dream for connecting to a #jetstream2 instance. Going to try it with the #UofA HPC (although doubtful it will "just work" as it requires some automated installation of stuff on the server side)
https://github.com/posit-dev/positron/issues/2307

Ok, my new mission is convincing #rstats people, especially those involved with @rOpenSci, that they are indeed research software engineers and that they should get involved in the disproportionately #pythonic (in my opinion) @us_rse

@cscheid Oh, that's nice! Can't wait to make a #UofA _brand.yml!

Most exciting new feature in #rstats package {gt}? Pretty formatting of chemical formulae and chemical reactions

https://posit.co/blog/everything-new-thats-in-gt-0-11-0/

#chemoinformatics #metabolomics

Needed a screen break, so drinking a "lightning mutated" Phoenix oolong from Qi Fine Teas—a gift from a dear friend.

#tea #oolong #breaktime

Ok, a more *specific* #mgcv #GAM question: When using tensor product interaction terms with `ti()`, do the knots have to match? E.g. do I have to do ti(x, k = 10) + ti(y, k = 20) + ti(x,y k = c(10, 20))? Or can the knots in the interaction term be whatever? Would I want them to be different for some reason?

#rstats

Can anyone point me to any tutorials/articles/reprexes for space-time #GAMs where the spatial dimension is raster data (as opposed to polygon centroids)? I *think* I know what I'm doing, but trying to do a sanity check before I really dive into the deep end of GAMs for this analysis. Looking for info about checking for spatial and temporal autocorrelation, how to set up interactions, etc. #rstats #rspatial

Well, I can't find the best carnitas tacos in #Tucson because of recent #gallbladder removal, but at least I can work my way through the coctels de mariscos (without avocado)! #lowfat #nogallbladder #gallbladdersurprise #mexicanfood

I've always been lucky enough to live where there is good tap #water, but now I have softened water that I need to filter it in some way. What's the most economical, lowest-plastic way to go about getting decent quality water? Water filter pitcher? #reverseOsmosis? Go buy spring water in big jugs?

I need decent water for #tea!

Maybe what I actually need is a #recipe site where I can filter by nutrition facts soi can find #lowfat recipes?

Just had my #gallbladder removed. I have to eat low- or non-fat foods for the next several weeks and small, more frequent servings. Any tips for #lowfat meals and snacks that don't suck?

Any #SMARTS wizards out there? How would I write a SMARTS pattern for, say, an OH group and a chlorine attached anywhere to the same aromatic ring?

EDIT: I figured it out!
[OX2H][$(c1ccccc1Cl), $(c1ccc(cc1)Cl), $(c1cc(ccc1)Cl)]

#chemistry #chemoinformatics

I spent SO MANY HOURS in grad school manually adjusting peak baselines and deciding what should or shouldn't count as a peak and then going back and doing it all again because I called it a peak in one sample but not the other. I'm SO happy that progress is being made on this problem and very excited to read this preprint!

https://www.biorxiv.org/content/10.1101/2023.07.28.551024v1

#GCMS #LCMS #XCMS #AnalyticalChemistry #Chromatography
#Metabolomics

I spent some time today learning to read/write SMILES and SMARTS and although my brain hurts a bit, it's actually not *that* tough. SMARTS is like regular expressions, but for molecules. Like regex, it gets tricky when you need something very specific (e.g OH groups not on an aromatic ring; phenols but not nitrophenols). I wish there was a SMARTS equivalent of this interactive regex explorer: https://regex101.com/

#chemoinformatics #chemistry #regex

{webchem} 1.3.0 is released on CRAN! This version brings some new features to nist_ri() 🎉 and sadly deprecates some functions whose corresponding APIs no longer exist 💀. Read the full changelog here: https://docs.ropensci.org/webchem/news/index.html#webchem-130

@rOpenSci
#chemoinformatics #chemistry #rstats

🎉 Just got notice that we got funding from the R Consortium to work on a really interesting project! `volcalc` is an R package for calculating estimated volatility of chemicals. Currently only works for compounds in the KEGG database, but we're going to re-factor so it works on any SMILES, InChI, or .mol file representation. I'm super excited to work on this!

#chemoinformatics #chemistry #VOCs #volatiles #rstats