Hello, I am a quality control chemist and I test raw materials for a nutritional supplement company. I make heavy use of FTIR-ATR for identification. We are a small laboratory with a limited budget, so we cannot afford software at the moment. I have been using Spectrabase to overlay my own spectra with that on the website, but this function seems gone. I have to compare spectra by hand, which is a bit tedious.
Is there an free, alternative way to overlay my spectra, or somewhere I can download free spectra?
Mr. Macatangay,
There is a lack of such analytical study as ''comparison of IR-spectra by hand.''
...And, you educate students; and your degree in analytical chemistry is accredited?!...And, all this happens in the United States?!
The comparative analysis of spectroscopic patterns is carried out only in chemometric terms. Consider work [1] in this context.
[1] A quantitative solid-state Raman spectroscopic method for control of fungicides, Bojidarka Ivanova, Michael Spiteller, Analyst, 2012,137, 3355-3364
Bojidarka B. Ivanova ,
I do not believe you understood my question. Your reply either does not address my question, or is far out of the scope of what I am asking.
Let me explain. When my company receives a raw material, I am to identify and assay it. One way I identify it is with FTIR-ATR. For example, when I get a compound called 'L-theanine", I will run it on the FTIR-ATR, and obtain a spectrum. From there, I have two options:
1. Compare statistically to a standard, using Scan N' Search software using a correlation coefficient algorithm. This is easiest, but I do not always have a standard for the hundreds of materials that come in.
2. I will mark the peaks and their corresponding wavenumbers, and compare it to a spectra from either Spectrabase (as linked) or SDBS. I used to be able to overlay my spectra on Spectrabase, but that functionality has since been removed, hence why I am looking for an alternative.
https://spectrabase.com/spectrum/1l5CsREcj3Z
To be clear: I do not educate students, and my degree is a bachelor's in biochemistry. Azusa Pacific University is accredited, and yes it happens in the United States. I understand your credentials are far beyond mine from a different country, and I would appreciate if you could point out somewhere I could practically improve.
- Badges
- Science topic