Mr. Rehbein,

First of all there are not needed spectra of so large number instruments, because of when Fs instruments are callibrated, then the information is completely reproducible in quantitative terms.

Second, there is not needed scripts devoted to data processing of Fs spectra, because of there are plenty of literature sources dealing with this topic. In this context there is not scientific novely (or innovation - meaning new information) in your script. Furthermore, the largest part of the algorithms are one and the same and are applicable to more than one spectroscopic patterns.

You can pay attention to the GramsAI manual in this context. This is the best software for spectroscopic data processing including IR, UV, Fs, Raman, NMR, EPR, etc., absorption and emission data (http://www.thermofisher.com/order/catalog/product/INF-15000).

Dear Bojidarka,

I think you misunderstood what my Intention is: I am writing a script implementing some new Data processing algorithms in fluorescence spectroscopy. Contrary to your elaboration, Not every imaginable Processing algorithm hast been Implemented... So there is still plenty of room for Research. In order to be able to import raw data for Processing, samples of export Files from the various existing spectrometers Out there are required to Develop a File Import tool that is able to handle multiple Input Data Formats. This is a common approach in bioinformatics. I Hope that May Help you understand the scope of my question.

Dear Peter,

I understand you'd like to develop a piece of SW or a script to manipulate/evaluate fluorescence instrument output in a novel way. Most instruments are nowadays equipped to export the data either as an Excel file (.xls, .xlsx) or comma separated file (.csv, .txt). One obvious place to find more details are the device manufacturers themselves, try to ask the local representation of the company, their headquarters or just read the device Manual (in most cases it can be downloaded from the manufacturers web page, usually from the Support section). Alternatively, you can crowd-source the respective file structure as you indicate. In this case I'd try to ask help in specialized group(s) on LinkedIn (linkedin.com), where spectrofluorometer users convene to share their experience.

Mr. Rehbein,

For elaboration of new algorithms you do not need spectra from different instruments, as well. The algorithms themselves represent innovation, so that you should: (i) to publish your algorithm, only, in a specialized journal having scope in the applied mathematics, for example, or (ii) to present software under public license; or (iii) commercially available software, respectively.

For multiple input data format as I have mentioned using GRAMS AI you can generate from one and the same file different formats. So that, once when you have these formats you can develop your algorithm.

In fact, you need only one spectroscopic pattern of Gaussian type, because of the Fs spectra like UV-VIS absorption ones are of one and the same type. Such as pattern can be taken from NIST-database, for example:

https://srdata.nist.gov/gateway/gateway?keyword=UV+spectrum

There is nothing wrong in creating tools for research, this happens all the time. Unfortunately, researchers investing their time into such efforts, are rarely credited for their work, as there is (as we see above) little understanding among researchers about this necessity. However, once these tools are ready, everyone likes to use them:-) How should anyone do research without proper tools?

Apart from this, the GRAMS software is becoming really outdated, there was no substantial improvement or updates since nearly ten years, while the prices are staying huge... I can fully understand when people are looking for alternatives.

Speaking about alternatives: the _free_ optical spectroscopy software Spectragryph (http://Spectragryph.com) recognizes 60+ file formats from UV-VIS, NIR, FTIR, Raman, LIBS, XRF and fluorescence spectrometers and has a lot of powerful spectra processing functions. Just that you know.

To make my Intention clear: It is true that meanwhile there is a certain palette of common output textfiles like CSV. However there are still exotic File Formats Out there, for example Perkin Elmer uses SP-datafiles. In addition, manufacturers May add Headers or Special characters as delimiters to their Output textfiles... So from the Bioinformatics perspective, when writing a file importer Tool, this can only be covered by looking at an explicit sample of any particular Export File created by a specific Instrument of a specific manufacturer. Anyone who has written an import Tool before will know that.

So I would appreciate any such files posted Here. Thanks :-)

Hi Peter,

that's exactly I had on my mind when answering. Sometimes they do .csv or .xls with fancy headers, unusual delimiters, crazy number formats, and so on, and so forth. I.e., files difficult to import without having your hands on the true file structure.

It's no easy feat you are undertaking, yet before you go into this full steam ahead, you may wish to define which instruments/vendors (and therefore formats) you would include, i.e., which formats your future users would appreciate. After all, your piece of software is going to solve someone's needs and it's always good to think a bit about what these needs really are. You may then decide to leave out some old or rare instruments or formats. Severing some difficult to grasp things might make your life so much easier ... You also might think about OS platforms you wish to support (on-line via browser, Win, MacOS, Linux, Android, iOS, or multi-platform Java).

I would definitely not rule out talking with the manufacturers, who can give you the file formats or contacts to their users in your neighborhood. I would also try looking on the net for some conversion scripts; it may be easy to extract the file structures from there.

If you think you really need to crowd-source the file structures, then I would suggest you go to places with more audience, such as LinkedIn, Twitter, or even Facebook. Or you might create a project on ResearchGate. Just posting a question here might turn out to be "a voice calling in the desert".

I wish you good luck with your project,

Michal

I have an old Perkin Elmer LS50B and can do this if you still need a spectrum from it. I'm a bit busy (otherwise I would have already done it!), so let me know and I'll get one over to you. Do you have a desired bandpass on ex/em? Signal to Noise? Or is this just dummy data?

Hi Jeremy, that sounds great - it would just be dummy data. An empty emission spectrum would suffice, plus exact description of the Device, model and Type. Version of the Controller Software would also be nice. And a Screenshot of your settings in the Controller Software.

Best, Peter

ok, I'll set a reminder for tomorrow. I think I can do it then.

My takeaway is, oh my god this instrument turns 20 this year! I think a party is in order!

Good luck with the software. Link whatever you make to this thread someday so we can see what you made.