NEWS
CentroidR 0.0.9004
- Fix centroid m/z/intensity alignment bug.
- Add regression tests for the reported m/z 164.0528 case.
- Reduce centroid allocation overhead for faster, leaner processing.
- Split dense profile peaks at local valleys so close peaks centroid separately.
(#52)
pattern in centroid_one_file() is now honoured as the regular expression
the documentation describes, instead of being matched literally.- Fix the command line script, which recursed infinitely on every run because
its null-coalescing operator called itself.
- The output file is now published with an atomic rename, so a run that fails
part way through no longer leaves a truncated file that later runs would
mistake for finished work.
min_datapoints_ms1 and min_datapoints_ms2 must now be whole numbers of at
least 1. Zero and negative thresholds used to be accepted and centroided peak
groups that held no data at all, and a fractional threshold such as 1.5 can
never be reached.centroid_one_file() now returns the logger to the console when it finishes.
A finished run no longer keeps capturing messages that other code logs later,
and a log file whose directory has since been deleted no longer turns every
subsequent logging call in the session into an error.
CentroidR 0.0.9003
- Update package metadata for version 0.0.9003 and dependencies.
CentroidR 0.0.9002
- Fix NaN values in mzML files originating from .wiff2 (#6).
CentroidR 0.0.9001
CentroidR 0.0.9000