group_mz_int() function to group peaks based on m/z similarity
considering also their intensity.getImputeMargin() works without argument, and return the default
margins for all MsCoreUtils::impute_* function.impute_matrix() man page.impute_mixed(): new split argument that controls of imputed
values are computed from the whole matrix of MAR and MNAR
sub-matrices (see issue
139).impute_mixed(): new marArgs and mnarArgs arguments that allow
to prive different sets of arguments for the missing-at-random mar
and missing-not-at-random mnar imputation function.impute_mixed() and allow for two MARGINs for mixed
imputation. (see issue
139).... in impute_mixed()`.retry(), not only simpleError.warningsAsErrors and verbose to retry().retry() function.join_gnps() to support also type being different from "outer".rbindFill(): improve performance when joining only matrices.gnps() and join_gnps() use C implementations for modified cosine
similarity calculation. The original R implementations are available as
gnps_r() and join_gnps_r(). See issue #131 for discussion and
performance comparison.gnps_chain_dp().matchedPeaksCount to spectra similarity/distance functions to
report, in addition to the similarity, also the number of matched peaks.C_reduce, C_join_inner,
and C_join_outer by using lengthgets() instead
(see issue 136).Rf_ prefix for R API functions and set R_NO_REMAP to avoid use of
accidentially using non-Rf_ prefixed functions in future.reduce() to merge also ranges with the same end.reduce() function to reduce overlapping numeric ranges to
disjoint ranges.R_Calloc and R_Free instead of Calloc and Free in
src/lowerConvexHull.c, respectively, to reflect changes in the R API and
fullfil STRICT_R_HEADERS check.common_path() to not return also the file name if the input parameter
contains only identical character strings.common_path() function.force_sorted() to adjust a numeric vector to ensure
increasing/sorted values.ndotproduct.breaks_ppm to create a sequence of numbers with increasing
difference between elements (defined by parameter ppm).impute_mle2() since norm2 has been removed from CRAN (see
issue
117).entropy and nentropy.impute_MinDet(MARGIN = 1) and add unit test.stopifnot() when calling requireNamespace().maxi to determine the maximal intensity value. This function
returns NA_real_ instead of -Inf if all values are missing or if the
length of the input parameter is 0.sumi to sum intensity values with correct NA handling.between in C (see issue #105).impute_mle2() in the
MLE imputation paragraph.MARGIN argument to (relevant) imputation functions to
support (and make it explicit) along which dimensions (row or
columns) imputation is performed.impute_mle2() function that uses norm2 (see issue #100).rla/rowRla man page.missForest) is now available
(`method = "RF")bin gains parameter returnMids to choose whether or not bin
mid-points should be returned in the result list.ppm to always return a positive value (issue
#94).Matrix::colSums() by default to handle sparce 'Matrix' and
'matrix' adjacency matrices.aggregate_by_matrix() that uses an adjacency matrix to
aggregate quantitative features.aggregate_by_matrix() and
aggregate_by_vector() to make sure that these are always set and
not reply on the underlying function.which.first and which.last.join_gnps and gnps to allow calculation of GNPS spectra similarity
scores.rt2numeric(), rt2character() and formatRt().impute_fun() function for user-provide imputation function.c("left", "right", "inner", "outer") join in C <2020-10-06 Tue>.... to functions to join and compare peaks; see also
#131.Feature to QFeatures <2020-07-14 Tue>closest accept just argument tolerance of length 1 or length(x);
see also #61,
PR #62
<2020-08-07 Thu>.tolerance argument in closest should now be of length 1 or of
length(x) (was length(table) before) <2020-08-20 Thu>.table closest and common return a vector of length x
with NA or FALSE, respectively (instead of 1 and TRUE).
Fixes #55
<2020-06-18 Thu>.closest and common ignore NA in table <2020-06-19 Fri>.rbindFill for single data.frame or DataFrame as input <2020-06-23 Tue>.colCounts() aggregation function <2020-05-27 Wed>.Add some popular distance/similarity metrices:
ndotproduct neuclidean navdist nspectraangle; see also
PR #33.
Add deprecation note to dotproduct <2020-05-22 Fri>.
MsCoreUtils with core function to get extreme
values, grouping/matching, noise/smoothing, similarity measurements,
various helper function, and function to process (impute and
normalise) quantitative features.