Latools

Changed
- Fixed bug in reading of external standard database.
- Cleaner warning messages for analytes missing from individual standards.
- Fixes to `analytes_sorted` function to pass through focus_stage argument.
- Create `_srm_key_dict` dict linking sample names to identified SRMs.

Changed
- Fixes to handling of uncalibrated elements in _analyte_checker, which effects calibration, minimal_export and plotting after calibration.

Changed
- Mass fraction calculation functions updated to work with analyte ratio names.
- Reproduce now correctly handles mass fraction calculation.

Flags
- Mass fraction calculation won't work well (at all?!) with multiple internal standards.

New
- Integrated long file splitting into analysis function.
- Stackhist plot

Changed
- Improved handling of analytes missing from SRM database (analyte is removed from further calculations, rather than throwing an error)
- Improved gradient plot.
- Various small bug fixes

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-release

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.