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- update to use new MALDIcellassay version
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thomas-enzlein committed Aug 28, 2024
1 parent 29ac41d commit e59c490
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Showing 2 changed files with 6 additions and 5 deletions.
6 changes: 3 additions & 3 deletions components/server.R
Original file line number Diff line number Diff line change
Expand Up @@ -89,9 +89,9 @@ server <- function(input, output, session) {
method = input$VarFilterMethod))

# peak statistics
stat_df <- calculatePeakStatistics(curveFits = fits,
singlePeaks = singlePeaks,
spec = prc$spec)
stat_df <- MALDIcellassay:::calculatePeakStatistics(curveFits = fits,
singlePeaks = singlePeaks,
spec = prc$spec)

appData$res <- new("MALDIassay",
avgSpectra = avg$avgSpec,
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5 changes: 3 additions & 2 deletions manual.md
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Expand Up @@ -16,8 +16,8 @@ This manual describes some of the details of the inner-workings of the `MALDIcel
The following features were already part of `MALDIcellassay`:

- pre-processing though the `MALDIquant`-package
- re-calibration to a single **m/z** (single point-re-calibration)
- normalization to a single **m/z**
- re-calibration to a single *m/z* (single point-re-calibration)
- normalization to a single *m/z*
- fitting curves to the data using the `nplr`-package

**M2ara** adds the following features:
Expand All @@ -26,6 +26,7 @@ The following features were already part of `MALDIcellassay`:
- interactive data exploration
- support for [mzML](#mzml) data \*
- calculation of quality metrics (Z', V', log2FC, CRS) \*
- feature ranking by metric \*
- principle component analysis (PCA)
- curve clustering
- outlier detection \*
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