Section 5 (lipid quantification from untargeted lipidomics datasets)

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capture_5 OzFAD Skyline Lipid Data Analyzer (LDA) Lipostar 2.0 MS-DIAL MZmine XCMS on-line
Adjustable feature detection No No No No Border adjustment is accepted in the GUI Yes Yes
Quantification by Combination of direct infusion MS (sum composition level aggregate quantity) with DIA LC-OzID-MS (isomer ratio quantification). Isotopic labels, surrogate standards, etc — Peak area Lipid internal standards such as SPLASH Peak area Maximal intensity
Normalization workflows No Yes Example_text Single/multi standard, normalization factor, samples sum/average, quality control, LOESS Internal standard based (for relative intensity-based sample comparison), quality control sample’s profiles based (for LOWESS method), total ion count based (for relative intensity-based sample comparison) By assigning features as internal standards No
Relative quantification No No Yes Yes Yes Yes Yes
Semi-absolute quantification No No Yes Yes Yes Yes Yes
Internal standards integration Yes Yes Yes Yes Yes Yes Yes
Calibration curve No Yes Yes Yes No No No