DGet v1.0.2

Improvements to the text importer

DGet v1.0.1

What's Changed

• Shimazdu import dialog fix by @djdt in #5

Full Changelog: v1.0.0...v1.0.1

DGet v1.0.0

This release adds a Qt6 based GUI to DGet!, with a Windows executable.

Peak areas are now calculated using the full mass width by interpolating edge points.

What's Changed

• Publication info by @djdt in #2
• Add a Qt6 based GUI by @djdt in #4

Full Changelog: v0.26...v1.0.0

DGet v0.26

Remove the error calculation for deuteration.
This is really the residuals of the deonvolution, and it is not valid to simply assume it as error in the %D.
Residuals can be checked using dget.residual_error, or visually by plotting data.

DGet v0.25

Add an error value to the deuteration, based on the residuals of the deconvolution.

Fix calculation of %D for adducts with multiple base molecules e.g., [2M+H]+

Improve compatibility of Flask module

DGet v0.24

Include new io package in setup.py.

DGet v0.23

What's Changed

• IO and single file uploads by @djdt in #1

Full Changelog: v0.22...v0.23

DGet v0.22

Add a method to check if an adduct string is valid.

Full Changelog: v0.21...v0.22

DGet v0.21

Use a cuttoff value 'cutoff' instead of 'number_states'
This can be passed as None (same behaviour as before), a float for a cutoff below a m/z, or a str D to cutoff below a deuteration state.

Full Changelog: v0.20...v0.21

DGet v0.20

Updated web app to Flask based open.
The new webapp will be hosted on google cloud.

Full Changelog: v0.11...v0.20