r/CHROMATOGRAPHY

Hey all, analytical chemist here. I was tired of HPLC data being stuck behind different software and paywalls, so I made Peakly. It's free, runs completely in your browser, and needs no account.

Try it here: https://jschmitt1531.github.io/peakly/app/ (hit Sample to load example data)

What it does

• Opens CSV/TXT/Excel, JCAMP-DX, AnDI/netCDF, mzML, Agilent .ch, and text exports from Agilent, Chromeleon, Shimadzu, Empower, UNICORN and ChromLab
• Turns a screenshot, PDF, or phone photo of a printed chromatogram into data (it's labeled "digitized" with the pixel uncertainty)
• ALS baseline correction, smoothing, and peak detection, or click start/end and integrate by hand
• Fused peaks: drop line, valley, tangent/exponential skim, or Gaussian/EMG fit, with a preview of each
• RT, area %, W½, tailing, plates, Rs, and S/N, and you can see the formula and inputs behind every number
• Calibration curves (weighted linear/quadratic, LOD/LOQ, concentration ± 95% for unknowns)
• Gradient overlay with dwell/void time, run overlays, and export to PNG/SVG/CSV/PDF

No tracking, no uploads. Your files never leave your browser.

The honest part

• It's for research and teaching, not validated for GMP/GLP. Use your validated CDS for anything regulated.
• I built the vendor file readers from the public format docs and tested them on synthetic files, not real instrument exports yet. That's where I need you most.
• Image-derived data is approximate. It's fine for RT and area %, but I wouldn't trust it for absolute quantitation.

What would really help

• Throw a real file from your instrument at it and tell me if it opens right (or breaks)
• Compare a few areas and RTs against your CDS
• 3 minute anonymous survey: https://forms.gle/Cqr15LVq2gkGEDhP8
• Bugs and format requests: https://github.com/jschmitt1531/peakly/issues

Code is public on GitHub if you want to check my work. I built it with an AI coding assistant, then checked the math against synthetic data with known answers (validation report is in the repo).

Would love to hear what you think, and happy to answer questions! If this already exist please point me to it!

Hi :), I need help. I wanted to measure a Mixture of compounds on the Agilent MSMS. We always test them with our product, with the product we certified last year and sometimes Standalone solutions which contains certain compounds

of the mixture. The product is stored at -80°C and is pretty unstable. Since it's also pretty expensive we always test the method first. The test looks like this: we take one ampoule from our Mix and let it sit at room temperature until it is completely melted. We mix it with a vortexer for two minutes and put it in a crimp-top vial. After that we start the sequence. First there are two washing Injections with the same methods and after that it injects into a blank and after that into our product vial. Each method is 14 minutes long.

The test is just to check whether all components are present or if the method needs to be modified again. Since the test looked good and we could see all peaks we decided to start the entire sequence with the old product and the standalone solutions.

So the next day we started everything. The start is identical to the mix after that the mixtures are being warmed up in the hand so that they melt faster and being vortexes for two minutes again. The vials are being placed in the MSMS right before the machine injects the needle.

After everything was completed we checked the results and the peaks were thicker and the retention time was pushed back by approximately 1,5 minutes. We did another test with the exact same method and everything was fine again.

Edit: Tuesday: 1 test with two product injections

Wednesday: normal run with 4 wash injections of the product, 6 product injections, 6 old product injections, 6 of each standalone solution

Thursday: 1 test identical to the first test with one of the normal run vail