Raw Data Conversion, Centroiding & mzML Workflows — Hands-on

Learn how to convert vendor specific raw spectra into open, analysis ready formats with correct centroiding, metadata and QA. You will design mzML based workflows that preserve data integrity and support downstream peak picking, alignment and statistical analysis.

Raw Data Conversion, Centroiding & mzML Workflows

Help Desk · WhatsApp

Session Index

Session 1 — Vendor Formats & Raw Spectra Basics Session 2 — Conversion to Open Formats & Metadata Session 3 — Centroiding, Peak Picking & Compression Session 4 — mzML Workflows, QA & Automation

Session 1

Fee: Rs 8800

Vendor Formats & Raw Spectra Basics

Vendor raw formats and file structures

profile spectra centroid spectra MS1 and MS2 organization

Basics of m/z, intensity and retention time axes

mass accuracy and resolution scan events and cycles chromatographic context

Why open formats matter in metabolomics

portability across tools long term archiving FAIR and reproducible workflows

Session 2

Fee: Rs 11800

Conversion to Open Formats & Metadata

From vendor raw to mzML and mzXML

profile versus centroid export peak picking at conversion step common conversion pitfalls

Metadata capture and instrument parameters

sample and run identifiers scan and acquisition settings controlled vocabulary terms

File naming and directory organization

consistent naming schemes batch and plate mapping linking to sample sheets

Session 3

Fee: Rs 14800

Centroiding, Peak Picking & Compression

Profile to centroid conversion concepts

peak detection thresholds smoothing and denoising impact on low abundance features

Choosing centroiding and peak picking options

instrument side versus downstream resolution and bin width choices effect on file size and speed

Compression strategies and performance

zlib and numpress style schemes lossless versus lossy thinking trade off between storage and fidelity

Session 4

Fee: Rs 18800

mzML Workflows, QA & Automation

Designing end to end mzML conversion pipelines

theory plus practical walkthrough

Quality checks on converted files

scan counts and RT spans base peak and TIC inspection spotting truncation problems

Batch automation and documentation

batch conversion scripts conversion logs and manifests handover to downstream tools

PDF

Raw Data Conversion, Centroiding & mzML Workflows Training | Vendor to Open Formats & QA

Raw Data Conversion, Centroiding & mzML Workflows — Hands-on