- Fixed issue in align_features() causing an error in case of R > 4.0
- Corrected bug in case of processing of timsToF data
- Implemented additional error-catching during feature alignment
- Fixed regex issue for raw filenames with specific substrings
- Added additional console prints for better monitoring progress of IceR
- Added up-front checking that samples were acquired with same gradient lengths. If major differences in gradient lengths are detected, IceR returns an error
- Added report of observed m/z and RT deviations between samples to console allowing detection if high inconsistencies are present
- Added warning in case of major deviations in m/z and RT between samples which will hamper reliable results from IceR
- Check that selected quantification column in load_MaxQ_data() by parameter
intensity_usedis available and otherwise report an error
IceR 0.9.10
- Fixed bug in requantify_features() during gam fitting of decoy feature intensities which can result in a crash if too few/no intensities are available (issue #4 on Github)
- Fixed bug in requantify_features() during preparation of some alignment performance QC plots (issue #7 on Github)
- Fixed bug in align_features() during feature alignment which could result in an unhandled error.
Initial release.