maldease-v2.3.1

• Fixes an error that would occur in some cases where a spectrum had incomplete metadata
  • This metadata was neither used nor reported, and so is now ignored
• Better error messages when maldease tries to open a bad or non-existent spectrum file

maldease-v2.3.0

• Changes plotting to ensure that the negative control is consistently at the bottom of the plot

maldease-v2.2.2

• Fixes a bug where intensities were reported as absolute values, and not as a ratio of the calibrator
• In the definitions file, calibrator and control are now case insensitive

maldease-v2.2.0

• Now creates a summary table in the root of the output directory
• Internal calibration controls may be used by adding a line named either calibrator or control in the definitions file
  • Intensities will be scaled such that the calibrator peak will exactly equal 1.0

maldease-v2.1.0

• Adds new option --peaks-only, which if set will only report peaks described in --definitions
• Program version is now reported in params.txt

maldease-v2.0.0

• maldease can now handle multiple inputs at once
  • Now takes trailing positional arguments to describe experiment file paths. This also allows file globbing.

maldease-v1.0.1

• Fixes an error where --generate-example-definitions doesn't actually generate a valid file
  • The column header mass_tolerance has been changed to simply tolerance

maldease-v1.0.0

• Total rebuild of peak calling
• Change to docopt for argument parsing
• data/definitions.tsv no longer exists, and has been replaced by --generate-example-defintions

maldease-v0.1.2

• Fix relative pathing so that maldease now reliably finds its DESCRIPTION file and data/ directory

maldease-v0.1.1

Removes unnecessary development code