KatzLab Mass Defect Explorer

1. Paste or load CSV data

Choose a CSV file

or drag it here, or paste CSV below

Input CSV

2. Mass-defect model

Preset parameter sets

Score width, σ (mDa)

Smaller values make the filter stricter. A residual equal to σ scores about 60.7.

“SAD” threshold

“HAPPY” threshold

Below SAD is rejected; at or above HAPPY is model-like; values between them are marked REVIEW.

Slope

Intercept

PFCA [M−H]⁻ reference:
fractional mass = mod(slope × nominal mass + intercept, 1)

The last CSV field is treated as exact mass. The scorer uses circular fractional-mass distance, so values near 0.999 and 0.001 are recognized as close rather than far apart.

3. Scored CSV output

0rows processed

0HAPPY

0review

0SAD

Output

4. Interactive mass-defect map

Each valid feature is plotted by nominal mass and fractional mass × 1000. Hover over a point to inspect the complete original CSV row and its score.

Happy Review Sad Happy boundary Review/Sad boundary

5. Build your own reference set

Paste known members of a chemical family or feature class. The final CSV field on each row must be an exact mass; preceding fields may contain names or other annotations. The fitter accounts for fractional-mass wraparound, estimates a best-fit line, and derives a scoring width from the reference residuals.

Reference compounds or features