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codemeta.json

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@@ -513,7 +513,7 @@
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"SystemRequirements": null
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},
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"keywords": ["metaboliteannotation", "chemotaxonomy", "scoringsystem", "naturalproducts", "computationalmetabolomics", "taxonomicdistance", "specializedmetabolome"],
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"fileSize": "2815.809KB",
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"fileSize": "2818.504KB",
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"citation": [
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{
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"@type": "ScholarlyArticle",

tests/testthat/test_functions.R

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@@ -32,6 +32,10 @@ testthat::test_that("Test functions", {
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## Get all files
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### Features table
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get_file(
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url = paths$urls$examples$features,
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export = paths$data$source$features
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)
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get_gnps_tables(
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filename = "example",
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path_features = paths$data$source$features,
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gnps_job_id = params$gnps$id
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)
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### Metadata table
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get_file(
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url = paths$urls$examples$metadata,
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export = paths$data$source$metadata
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)
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get_file(
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url = paths$urls$examples$metadata |>
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gsub(pattern = ".tsv", replacement = "_unrecognized.tsv"),

vignettes/I-inputs.Rmd

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@@ -127,7 +127,7 @@ The most important file you need to provide is an MGF file containing the spectr
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source(file = "inst/scripts/get_gnps_tables.R")
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```
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To get some example files (corresponding to the spectra to annotate, corresponding areas and metadta), just run:
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To get some example files (corresponding to the spectra to annotate, corresponding areas and metadata), just run:
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```{r unlink-spectra, include = FALSE}
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unlink("data/source/example_spectra.mgf")

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