imzML is an open, XML-based MSI data format, an extension of the universal mass spectrometry format mzML, developed by the mass spectrometry imaging community, specifically designed to describe the imaging data structure of 'pixel coordinates + spectra'.
It binds each pixel's m/z–intensity spectrum to its corresponding x/y (and optionally z) coordinates, so that the spatial distribution of molecules can be reconstructed by software.
imzML consists of two parts: the .imzML is an XML file that records experimental metadata, spectrum index, the coordinates of each pixel, and the offsets of data in the binary file; the .ibd is a binary file that stores the actual spectral data.
Two modes are available: processed (peak-picked/centroided, small size, convenient for statistics) and continuous (full/raw profile, preserves original detail but large size); choose based on the analysis purpose.
Each vendor's raw formats are closed (such as Bruker's .d, Thermo's .raw, Waters' .raw/.dat, SCIEX's .wiff), making it difficult for analysis software to interoperate and creating data silos.
imzML lets open-source tools (such as Cardinal and MALDIquant) and cross-vendor commercial software all read the same data, facilitating method reproduction, cross-comparison and long-term archiving.
Most vendors' imaging software supports direct imzML export (such as Bruker's relevant export tools, the export function of SCiLS Lab, Waters' relevant tools, etc.); community/third-party conversion tools can also convert raw formats into imzML.
Before conversion, mass calibration/recalibration and coordinate alignment are usually required; after conversion you get the paired .imzML + .ibd files, ready to enter the universal analysis workflow. Note that imzML solves 'data interoperability'—the annotation/identification of molecular identity still requires supporting databases and algorithms.
To obtain detailed specifications, compatible models, or a quotation for the MSI LDPI / DPI full series imaging ion sources, visit the Neo-Source official website, or contact the official team for compatibility advice tailored to your mass spectrometer (Agilent / SCIEX / Thermo and other mainstream MS).