Waters | Nonlinear Dynamics

Progenesis CoMet

A unique approach for metabolomics data analysis
Discover the significantly changing compounds in your samples…

What file formats, data types and instrument types are supported?

File formats

Progenesis CoMet directly supports many of the most common data formats produced by mass-spec machines. It also offers an extension mechanism by which new formats can be supported (see the custom development section below).

The following list gives the various file formats currently supported, both those that are pre-packaged with the software and others that can be downloaded to extend your existing software:

Data file format Download the plugin
AB SCIEX WIFF files Download AB SCIEX WIFF files
Agilent (MassHunter) .d folders
Please read the plugin's FAQ page for instructions on using the plugin.
Download Agilent (MassHunter) .d folders
Bruker Daltonics .d folders
Please read the plugin's FAQ page for full installation instructions.
Download Bruker Daltonics .d folders
mzML Provided as standard
mzXML Provided as standard
NetCdf .cdf files Download NetCdf .cdf files
Thermo (Xcalibur) .RAW files Provided as standard
Waters (MassLynx) .RAW folders
You need to have MassLynx installed to use this reader.
Provided as standard

Currently, other formats should be converted to mzML or mzXml.

Custom development

We're happy to work with you to support other file formats you may prefer to use. If you're interested in this option, please email support@nonlinear.com and one of our development team will contact you to discuss your needs and how we might help.

Data types

Data may be in either profile or centroided forms, although you will usually get better results using profile data. Additionally, if you use centroided data you will be asked to enter the full width at half maximum (FWHM) resolution of the machine on which the data was collected.

Instrument types

Progenesis CoMet works with a wide variety of machine types. For most instrument types, the default ion detection method in Progenesis CoMet should be used. For low resolution ion trap instruments, the specialised low resolution detection method option should be used. We have also included an option for optimum detection of runs from Thermo FT-ICR instruments, which typically has much lower levels of noise than data from other instrument types.