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docs: small fix in the vignette
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vignettes/xcms.Rmd

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@@ -1293,7 +1293,7 @@ laboratories and over time, the same samples may result in variation in
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retention time, especially because the LC system can be quite unstable. In these
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cases, an alignment step using the `adjustRtime()` function with the
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`LamaParam` parameter can allow the user to perform this type of alignment.
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We will go through this step by step below.
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We will go through this step by step below.
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Let's load an already analyzed dataset `ref` and our previous dataset before
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alignment, which will be `tst`. We will first restrict their retention time
@@ -1307,18 +1307,18 @@ tst <- loadXcmsData("faahko_sub2")
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Now, we will attempt to align these two samples with the previous dataset. The
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first step is to extract landmark features (referred to as `lamas`). To achieve
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this, we will identify the features present in every QC sample of the `ref`
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dataset. To do so, we will categorize (using `factor()`) our data by
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dataset. To do so, we will categorize (using `factor()`) our data by
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`sample_type` and only retain the QC samples. This variable will be utilized to
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filter the features using the `PercentMissingFilter()` parameter within the
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`filterFeatures()` function (see section above for more information on this
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filter the features using the `PercentMissingFilter()` parameter within the
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`filterFeatures()` function (see section above for more information on this
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method)
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```{r}
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f <- sampleData(ref)$sample_type
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f[f != "QC"] <- NA
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ref <- filterFeatures(ref, PercentMissingFilter(threshold = 0, f = f))
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ref_mz_rt <- featureDefinitions(ref)[, c("mzmed","rtmed")]
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ref_mz_rt
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head(ref_mz_rt)
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```
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This is what the `lamas` input should look like for alignment. In terms of
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```{r}
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#access summary of matches and model information
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summary <- summarizeLamaMatch(param)
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summary
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summary
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# coverage for each file
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summary$Matched_peaks / summary$Total_peaks * 100
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#access the information on the model of for the first file
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#access the information on the model of for the first file
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summary$model_summary[[1]]
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# Plot obs vs. ref with fitting line
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plot(param, index = 1L, main = "ChromPeaks versus Lamas for the first file",
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# Plot obs vs. ref with fitting line
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plot(param, index = 1L, main = "ChromPeaks versus Lamas for the first file",
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colPoint = "red")
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```
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