0.3.19

[0.3.19] - Gradient Filters, quality of life

Changed

• Filters now use pandas to keep track of filter components and switches.
• Quality of life improvements using pandas DataFrames to display filter status
• Improvements to the calculation of rolling statistics. Can choose justification window relative to data position, and rolling gradient calculation now handles nans better (excludes them).
• Improvements to gradient_threshold filters. Can now set absolute_gradient=False to select 'up' or 'down' components separately. gplot now shows the effect of filters directly, similar to tplot.

0.3.18

[0.3.18]

Added

• Change ratio calibration framework to support multiple internal standards. Internal standard is now stored alongside analyte name after ratio calculation as 'XX_YY'. This involved a lot of tweaks to discrimnate between pre- and post- ratio treatment of data. All tests passing & manuscript supplement notebooks run fine, but some more advanced features may be broken. Please log an issue if you find anything.

Changed

• latools.preprocessing.split.long_file can now accept wildcards in sample names to allow for repeat ablations of single samples.

0.3.17

Added clear_subsets function
Re-aligned pypi versions after snafoo.

Fix bug caused by numpy update

Fixed type error thrown after numpy update.

Fixed srm_id_auto bug

No longer fails if analytes are missing from SRM database.

Analyte Ordering in Export

0.3.12

Analye ordering

Minor Fixes

[0.3.11] - 04/07/2019

Fixing minor bugs introduced in 0.3.10. General cleanup, added makefile.

Changed

• Fixed broken meta_regex parsing when key was numeric instead of str.
• Fixed default behaviour of mass fraction calculation
• Removed extrapolation from interp1d background calculation to avoid negative backgrounds/stderrs.

Long File Splitting, Calculate Mass Fractions

Plus minor tweaks and bug fixes throughout.

read_data fix

Modified read_data to correctly remove non-analyte columns from data table on import.

Calibration Improvement

Fixed numerous bugs in hurried last release.