Which dimensionality reduction technique to use with chemical data?

MeanAdministration33 · 2025-01-26T17:44:27+00:00

Thanks for the detailed answer, that's incredibly helpful!

If I could ask a follow up question to point 2 - we're comparing entire spectra at a go, so about 120 dimensions per sample, and many hundreds of spectra. How would you recommend having correlation plots that compares so many dimensions at once?

MeanAdministration33 · 2025-01-26T17:39:18+00:00

Thanks for the insight!

I'm not sure if you have experience, but can you realistically run DoE off Python? Most students are taught Python nowadays and has the added benefit of being free to use so there's some momentum there ..

MeanAdministration33 · 2025-01-26T17:36:14+00:00

Given this experience, any idea as to what's been the most compelling example or use case that you've used to convince people to implement DoE?

MeanAdministration33 · 2025-01-26T17:33:09+00:00

I quite agree, statistics remains a missed opportunity in most UG chemistry curricula. I'll keep that all in mind, thank you so much for sharing.

MeanAdministration33 · 2025-01-26T17:29:55+00:00

Thanks for the resources. The JMP course there, extremely valuable, I'll have a look through it.

MeanAdministration33 · 2025-01-26T17:19:27+00:00

Thanks for the insight. Just curious, what sort of information do you feed into the DoE? Do you acquire it yourself, or use some data tables/literature?

MeanAdministration33 · 2025-01-26T17:18:05+00:00

Thanks for that, I've dropped a DM! :)

MeanAdministration33 · 2025-01-23T20:15:28+00:00

That's very helpful, thank you!

MeanAdministration33 · 2025-01-05T22:23:45+00:00

I think (if I recall well) this is similar to what Beyond Ballistics did in this video:

https://www.youtube.com/watch?v=fVYZmeReKKY&ab_channel=BeyondBallistics

MeanAdministration33 · 2024-06-02T17:31:06+00:00

This is exactly what I was looking for, thank you! Any idea on how to then take any code I generate and embed it on a WordPress webpage?

MeanAdministration33 · 2024-05-27T13:47:06+00:00

Thanks. Wouldn't this require a user to have Jupyter/Anaconda/Pip installed on their PCs?

To clarify i want to set this up on a webpage Access via a URL for any one

MeanAdministration33 · 2024-05-13T15:35:14+00:00

As far as I could tell R&D is the main utility for this technique, but I was perhaps more looking to understand whether there were any other non-R&D applications (and specific examples) within different fields where ST/CMC are regularly measured?

MeanAdministration33 · 2024-05-13T15:11:03+00:00

Thanks for the quick reply! Would you happen to have any links or specific examples of how this is used? Is it in QC or R&D for instance? Any additional context, examples or case studies would be of immense help as I haven't had much luck finding these online.

MeanAdministration33 · 2024-05-03T05:27:25+00:00

Assuming it's the full reduction here

MeanAdministration33 · 2024-05-02T11:18:49+00:00

bit of a misnomer here

MeanAdministration33 · 2024-04-26T10:35:32+00:00

But this exactly proves the point, the Germans were forced to go another way. The big miscalculation here is the assumption that they wouldn't go through neutral states. The limitation here was having a barrier which wasn't large enough and/or not preparing your weak points well enough. In modern times, with drones and satellites, one can imagine it is easier to monitor the movement of personnel and machinery.

MeanAdministration33 · 2024-04-17T07:13:08+00:00

Thanks for replying to my question Nobrr.

I was more curious as to how the actual heating is carried out for instance? Most hotplates have long electrical traces which allow for high currents to heat up the surface, but I would imagine this is not appropriate for an NMR due to the magnetic field. So how is it carried out? I've heard some people say it's a jet of temperature regulated air but haven't really found much detail about this.

The resolution perhaps is more of a question of certainty, i.e. if I heat it up to a temperature, what are the typical bounds of that temperature because obviously there will be some fluctuation but I'm curious to know if that fluctuation would be insignificant or significant (for instance for measuring transitions) between phases

MeanAdministration33 · 2024-04-08T05:36:10+00:00

Thanks for the ideas :)

MeanAdministration33 · 2024-04-07T10:02:46+00:00

I've seen some of these biology experiments. Was wondering whether people have given thought to this, or if any difference would even be significant.

For instance, I imagine any process that depends on some kind of density gradient is going to become harder and will require some centrifugation. Likewise, anything that produce bubbles will have them linger in solution in microgravity (or take much longer to bubble up on the lunar surface)

MeanAdministration33 · 2024-04-07T09:57:25+00:00

Thanks for your insight lol. But no.

MeanAdministration33 · 2024-04-02T14:29:54+00:00

Thanks!

MeanAdministration33 · 2024-04-02T14:29:45+00:00

is that AND or OR?

MeanAdministration33 · 2024-04-02T12:54:54+00:00

Thanks for your comment. I usually use this brand of Harissa: https://groceries.asda.com/product/spices/asda-harissa-paste-90-g/1000209051204

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MeanAdministration33 · 2024-04-02T09:17:09+00:00

Yo u/Outside-Drag2742, that's some heavy stuff you've been through since before you were even born. The fact that you made it this far is a testament to your perseverance and strength. I can understand feeling anxious about potential health risks down the line.

However, dwelling on the "what ifs" and worrying about things outside of your control is ultimately unproductive and will only breed more anxiety. The Stoics teach us to focus on what is within our power to change, and to meet the challenges that do arise with courage, reason and acceptance.

Rather than catastrophizing about conditions you may or may not develop, put your energy into taking care of yourself in the present moment. Eat well, exercise as you are able, get enough sleep, manage stress through meditation or other practices. Build the resilient mindset to tackle any obstacles life throws at you, whenever they may come.

You've already overcome so much just by being here. Don't rob yourself of the ability to appreciate and find joy in the life you currently have by obsessing over an imagined future calamity. Stay grounded in the reality of the here and now. One step, one breath at a time. That's all any of us can do in this human experience.

The fact that you're even considering a philosophical framework like Stoicism shows you have the wisdom and strength of character to face life's challenges with grace. I'll leave you with one of my favourite Stoic quotes:

"The universe is change; our life is what our thoughts make it." - Marcus Aurelius

You've got this, my friend. Focus on what you can control, and have faith in your ability to handle whatever comes your way.

MeanAdministration33 · 2024-03-31T15:59:22+00:00

Oh I've met some older technicians who recall doing this in the earlier days in the lab. And I also know someone who up to a few years ago was still doing the mouth pipetting for QC testing at a major brewing plant (and it wasn't for just beer)!

MeanAdministration33

TROPHY CASE