hplc-py - v0.2.7

This version adjusts the default parameter bounding for fitting peak amplitudes and widths. It also adds in a new check to make sure the approximate_peak_width is reasonable given the sampling frequency of the data. Additionally, type hints are added to the hplc.quant module to aid development.

Scientific Software - Peer-reviewed - Python
Published by gchure over 1 year ago

hplc-py - 0.2.6

What's Changed

• A new statistic signal_maximum is returned when fit_peaks() is called. This corresponds to the maximum signal observed in a peak reconstruction.

Full Changelog: https://github.com/cremerlab/hplc-py/compare/0.2.5...0.2.6

Scientific Software - Peer-reviewed - Python
Published by gchure over 1 year ago

hplc-py - 0.2.5

Full Changelog: https://github.com/cremerlab/hplc-py/compare/0.2.4...0.2.5

Scientific Software - Peer-reviewed - Python
Published by gchure about 2 years ago

hplc-py - 0.2.4.post1

What's Changed

• Add dependencies to setup.py by @florian-huber in https://github.com/cremerlab/hplc-py/pull/13

New Contributors

• @florian-huber made their first contribution in https://github.com/cremerlab/hplc-py/pull/13

Full Changelog: https://github.com/cremerlab/hplc-py/compare/0.2.3...0.2.4.post1

Scientific Software - Peer-reviewed - Python
Published by gchure about 2 years ago

hplc-py - 0.2.4

What's Changed

• Add dependencies to setup.py by @florian-huber in https://github.com/cremerlab/hplc-py/pull/13

New Contributors

• @florian-huber made their first contribution in https://github.com/cremerlab/hplc-py/pull/13

Full Changelog: https://github.com/cremerlab/hplc-py/compare/0.2.3...0.2.4

Scientific Software - Peer-reviewed - Python
Published by gchure about 2 years ago

hplc-py - 0.2.3

What's Changed

• Bug fix for: #10 small issue in correct baseline method by @gchure in https://github.com/cremerlab/hplc-py/pull/11

Full Changelog: https://github.com/cremerlab/hplc-py/compare/v0.2.2...0.2.3

Scientific Software - Peer-reviewed - Python
Published by gchure about 2 years ago

hplc-py - 0.2.2

This release fixes a bug in global parameter bounding and adds a test coverage. It also includes modifications to the documentation including the addition of a new tutorial that demonstrates how to use hplc-py to generate a calibration curve.

Scientific Software - Peer-reviewed - Python
Published by gchure over 2 years ago

hplc-py - 0.2.10

This release of hplc-py fixes several small bugs discovered in further testing and validation. The major bug fix was the addition to standardize the time window over which peak areas can be integrated, which is necessary when using calibration curves to quantify data within chromatograms. This has been included as a new keyword argument integration_window in the .fit_peaks() method of a Chromatogram object.

Further unit testing of the io.load_chromatogram() function has now been implemented and the scope of this function has been reduced to accept only one chromatogram object at a time.

Scientific Software - Peer-reviewed - Python
Published by gchure over 2 years ago

hplc-py - 0.2.0

This release includes new features for manually positioning known peaks, modifying individual peak parameters, accounting for negative peak integration, and renaming some variables for internal consistency.

Scientific Software - Peer-reviewed - Python
Published by gchure over 2 years ago

hplc-py - Cut of beta release, v.0.1.1

This is the first official release of hplc-py with a version 0.1.0! This is a stable release that has a tested suite of functions for quantifying chromatography data. While not a pre-release, this release will soon be updated given use feedback by collaborators and in preparation for formal publication.

This release supersedes v0.1.0.post1.

Scientific Software - Peer-reviewed - Python
Published by gchure over 2 years ago

hplc-py - Cut of beta release, v.0.1.0

This is the first official release of hplc-py with a version 0.1.0! This is a stable release that has a tested suite of functions for quantifying chromatography data. While not a pre-release, this release will soon be updated given use feedback by collaborators and in preparation for formal publication.

Scientific Software - Peer-reviewed - Python
Published by gchure over 2 years ago