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tidied variable names in internal methods spectralBinning and ss
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jasenfinch committed Dec 7, 2020
1 parent 4a2ea45 commit c585c9d
Showing 1 changed file with 21 additions and 21 deletions.
42 changes: 21 additions & 21 deletions R/spectralBinning-method.R
Original file line number Diff line number Diff line change
Expand Up @@ -17,11 +17,11 @@ setMethod("spectralBinning",
pks <- getPeaks(files,scans(x))

if (isTRUE(verbose)) message('Calculating bins')
binList <- calcBinList(pks)
bin_list <- calcBinList(pks)

if (isTRUE(verbose)) message('Removing single scan events')
pks <- pks %>%
inner_join(binList,by = c("polarity", "bin"))
inner_join(bin_list,by = c("polarity", "bin"))

if (length(cls(x)) > 0) {
cls <- cls(x)
Expand All @@ -37,7 +37,7 @@ setMethod("spectralBinning",
n_scans <- nScans(x)

if (isTRUE(verbose)) message('Averaging intensities across scans')
binnedData <- pks %>%
binned_data <- pks %>%
split(.$fileName) %>%
future_map(~{
.x %>%
Expand Down Expand Up @@ -66,18 +66,18 @@ setMethod("spectralBinning",
bind_rows()

if (isTRUE(verbose)) message('Calculating bin measures')
binMeasures <- calcBinMeasures(pks,
bin_measures <- calcBinMeasures(pks,
cls)

if (isTRUE(verbose)) message('Calculating accurate m/z')
accurateMZ <- pks %>%
accurate_mz <- pks %>%
group_by_at(vars(all_of(c('fileName',cls,'polarity','bin')))) %>%
filter(intensity == max(intensity)) %>%
arrange(bin) %>%
left_join(binMeasures,by = c('fileName',cls, "polarity", "bin")) %>%
left_join(bin_measures,by = c('fileName',cls, "polarity", "bin")) %>%
ungroup()

mz <- accurateMZ %>%
mz <- accurate_mz %>%
select(polarity,bin,mz,intensity) %>%
group_by(polarity,bin) %>%
filter(intensity == max(intensity)) %>%
Expand All @@ -86,7 +86,7 @@ setMethod("spectralBinning",
ungroup()

if (isTRUE(verbose)) message('Building intensity matrix')
binnedData <- binnedData %>%
binned_data <- binned_data %>%
left_join(mz,by = c("polarity", "bin")) %>%
select(-bin) %>%
split(.$polarity) %>%
Expand All @@ -98,8 +98,8 @@ setMethod("spectralBinning",

headers <- getHeaders(files)

binnedData(x) <- binnedData
accurateData(x) <- accurateMZ
binnedData(x) <- binned_data
accurateData(x) <- accurate_mz
spectra(x) <- list(headers = headers,
fingerprints = pks)

Expand All @@ -122,15 +122,15 @@ setMethod('ss',signature = 'Binalysis',
mutate(fileName = str_c('Scan ',scan))

if (isTRUE(verbose)) message('Calculating bins')
binList <- calcBinList(pks)
bin_list <- calcBinList(pks)

if (isTRUE(verbose)) message('Removing single scan events')
pks <- pks %>%
inner_join(binList,by = c("polarity", "bin")) %>%
inner_join(bin_list,by = c("polarity", "bin")) %>%
mutate(class = class)

if (isTRUE(verbose)) message('Calculating intensity totals')
binnedData <- pks %>%
binned_data <- pks %>%
split(.$fileName) %>%
future_map(~{
.x %>%
Expand All @@ -140,27 +140,27 @@ setMethod('ss',signature = 'Binalysis',
bind_rows()

if (isTRUE(verbose)) message('Calculating bin measures')
binMeasures <- calcBinMeasures(pks,
bin_measures <- calcBinMeasures(pks,
'class')

if (isTRUE(verbose)) message('Calculating accurate m/z')
accurateMZ <- pks %>%
accurate_mz <- pks %>%
group_by(fileName,scan,class,polarity,bin) %>%
filter(intensity == max(intensity)) %>%
arrange(bin)

accurateMZ <- accurateMZ %>%
left_join(binMeasures,by = c('fileName',"class", "polarity", "bin")) %>%
accurate_mz <- accurate_mz %>%
left_join(bin_measures,by = c('fileName',"class", "polarity", "bin")) %>%
ungroup() %>%
select(scan,polarity,bin,mz,intensity,purity,centrality)

mz <- accurateMZ %>%
mz <- accurate_mz %>%
group_by(polarity,bin) %>%
filter(intensity == max(intensity)) %>%
select(polarity,bin,mz)

if (isTRUE(verbose)) message('Building intensity matrix')
binnedData <- binnedData %>%
binned_data <- binned_data %>%
left_join(mz,by = c("polarity", "bin")) %>%
select(-bin) %>%
ungroup() %>%
Expand All @@ -176,8 +176,8 @@ setMethod('ss',signature = 'Binalysis',
headers <- getHeaders(file)

cls(x) <- 'scan'
binnedData(x) <- binnedData
accurateData(x) <- accurateMZ %>%
binnedData(x) <- binned_data
accurateData(x) <- accurate_mz %>%
ungroup()
spectra(x) <- list(headers = headers, fingerprints = pks %>%
ungroup()
Expand Down

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