Merge pull request #54 from aberHRML/devel

v2.6.1
aberHRML · Nov 4, 2021 · 06c63db · 06c63db
2 parents 4238c1b + 90777e6
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diff --git a/DESCRIPTION b/DESCRIPTION
@@ -1,6 +1,6 @@
 Package: binneR
 Title: Spectral Processing for High Resolution Flow Infusion Mass Spectrometry
-Version: 2.6.0
+Version: 2.6.1
 Authors@R: person("Jasen", "Finch", email = "[email protected]", role = c("aut", "cre"))
 Description: A spectral binning approach for high resolution flow infusion mass spectrometry data.
 biocViews: MassSpectrometry, Metabolomics

diff --git a/NEWS.md b/NEWS.md
@@ -1,8 +1,12 @@
+# binneR 2.6.1
+
+* Fixed performance loss during bin metric calculation caused by the binning width retrieval.
+
 # binneR 2.6.0
 
 * Removed the `LazyData` field from the DESCRIPTION file.
 
-* Replaced the `Remotes` field in the DESCRIPTION file with `Additional_repositories` for the installation of the [`metaboData`](https://aberhrml.github.io/metaboData/) dependency.
+* Removed the `Remotes` field in the DESCRIPTION file as the [`metaboData`](https://aberhrml.github.io/metaboData/) dependency is now available on CRAN.
 
 * The number of decimal places used for spectral binning can now be specified using the `binner_dp` global option or the `BINNER_DP` environment variable.
 

diff --git a/R/calc.R b/R/calc.R
@@ -13,17 +13,19 @@ calcBinList <- function(pks){
 
 calcBinMeasures <- function(pks,cls){
 
+  dp <- binnerDP()
+
   binMeasures <- pks %>%
     group_by_at(vars(all_of(c('fileName',
                               cls,
                               'polarity',
                               'bin')))) %>%
     summarise(purity = binPurity(mz,
                                  intensity,
-                                 dp = binnerDP()),
+                                 dp = dp),
               centrality = binCentrality(mz,
                                          intensity,
-                                         dp = binnerDP()),
+                                         dp = dp),
               .groups = 'drop')
 
   return(binMeasures)

diff --git a/docs/404.html b/docs/404.html
diff --git a/docs/LICENSE.html b/docs/LICENSE.html
diff --git a/docs/articles/binneR.html b/docs/articles/binneR.html
diff --git a/docs/articles/index.html b/docs/articles/index.html
diff --git a/docs/authors.html b/docs/authors.html
diff --git a/docs/index.html b/docs/index.html
diff --git a/docs/news/index.html b/docs/news/index.html
diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml
@@ -3,5 +3,5 @@ pkgdown: 1.6.1
 pkgdown_sha: ~
 articles:
   binneR: binneR.html
-last_built: 2021-09-29T14:47Z
+last_built: 2021-11-04T10:37Z
 
diff --git a/docs/reference/BinParameters-class.html b/docs/reference/BinParameters-class.html
diff --git a/docs/reference/Binalysis-class.html b/docs/reference/Binalysis-class.html
diff --git a/docs/reference/binParameters.html b/docs/reference/binParameters.html
diff --git a/docs/reference/binneRlyse.html b/docs/reference/binneRlyse.html
diff --git a/docs/reference/detectInfusionScans.html b/docs/reference/detectInfusionScans.html