diff --git a/DESCRIPTION b/DESCRIPTION index ffd7f4e..d460984 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,7 +1,7 @@ Package: artMS Type: Package Title: Analytical R tools for Mass Spectrometry -Version: 1.11.2 +Version: 1.10.2 Date: 2021-07-13 Authors@R: c(person("David", "Jimenez-Morales", role = c("aut","cre"), email = "biodavidjm@gmail.com", diff --git a/README.md b/README.md index 5611e0b..744002d 100644 --- a/README.md +++ b/README.md @@ -4,7 +4,7 @@ ___Analytical R Tools for Mass Spectrometry___ --- -[![Travis build status](https://travis-ci.org/biodavidjm/artMS.svg?branch=master)](https://travis-ci.org/biodavidjm/artMS) +[![Build Status](https://travis-ci.com/biodavidjm/artMS.svg?branch=master)](https://travis-ci.com/biodavidjm/artMS) [![codecov](https://codecov.io/github/biodavidjm/artMS/branch/master/graphs/badge.svg)](https://codecov.io/github/biodavidjm/artMS) diff --git a/docs/404.html b/docs/404.html index 0a086c9..b20010e 100644 --- a/docs/404.html +++ b/docs/404.html @@ -81,7 +81,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/LICENSE-text.html b/docs/LICENSE-text.html index 2618df4..8822d0e 100644 --- a/docs/LICENSE-text.html +++ b/docs/LICENSE-text.html @@ -81,7 +81,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/articles/artMS_vignette.html b/docs/articles/artMS_vignette.html index c441a5f..03a0a24 100644 --- a/docs/articles/artMS_vignette.html +++ b/docs/articles/artMS_vignette.html @@ -37,7 +37,7 @@ artMS - 1.11.1 + 1.10.2 @@ -88,7 +88,7 @@

artMS: Analytical R Tools for Mass Spectrometry

David Jimenez-Morales

-

2021-07-08

+

2021-07-14

Source: vignettes/artMS_vignette.Rmd @@ -1749,11 +1749,9 @@

HELP

- +

Errors or warnings? try to update the package first (resinstall) just in case a newer version is already available fixing the issue.

+

Does the issue persist after reinstallation? Then, please, submit your error as a new issue at the official Github repository.

+

Any other inquiries:

diff --git a/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-1.png b/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-1.png index b471f39..ee199f1 100644 Binary files a/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-1.png and b/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-1.png differ diff --git a/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-5.png b/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-5.png index 858558f..3193ddf 100644 Binary files a/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-5.png and b/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-5.png differ diff --git a/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-7.png b/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-7.png index d275a33..0fec5b8 100644 Binary files a/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-7.png and b/docs/articles/artMS_vignette_files/figure-html/unnamed-chunk-6-7.png differ diff --git a/docs/articles/index.html b/docs/articles/index.html index a45c1a4..c6eaffd 100644 --- a/docs/articles/index.html +++ b/docs/articles/index.html @@ -81,7 +81,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/authors.html b/docs/authors.html index 5d7acb6..c56e6db 100644 --- a/docs/authors.html +++ b/docs/authors.html @@ -81,7 +81,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/index.html b/docs/index.html index 96ff705..5c0324c 100644 --- a/docs/index.html +++ b/docs/index.html @@ -44,7 +44,7 @@ artMS - 1.11.1 + 1.10.2 @@ -96,7 +96,7 @@ artMS

Analytical R Tools for Mass Spectrometry


-

Travis build status codecov

+

Build Status codecov

Overview

diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml index e90e48d..8cf1535 100644 --- a/docs/pkgdown.yml +++ b/docs/pkgdown.yml @@ -3,7 +3,7 @@ pkgdown: 1.6.1 pkgdown_sha: ~ articles: artMS_vignette: artMS_vignette.html -last_built: 2021-07-08T21:01Z +last_built: 2021-07-14T07:23Z urls: reference: http://artms.org//reference article: http://artms.org//articles diff --git a/docs/reference/artmsAnalysisQuantifications.html b/docs/reference/artmsAnalysisQuantifications.html index 6597efa..d126729 100644 --- a/docs/reference/artmsAnalysisQuantifications.html +++ b/docs/reference/artmsAnalysisQuantifications.html @@ -98,7 +98,7 @@ artMS - 1.11.1 + 1.10.2
diff --git a/docs/reference/artmsAnnotateSpecie.html b/docs/reference/artmsAnnotateSpecie.html index bf0bbec..d7c78e8 100644 --- a/docs/reference/artmsAnnotateSpecie.html +++ b/docs/reference/artmsAnnotateSpecie.html @@ -87,7 +87,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsAnnotationUniprot.html b/docs/reference/artmsAnnotationUniprot.html index 98725f3..b032f2d 100644 --- a/docs/reference/artmsAnnotationUniprot.html +++ b/docs/reference/artmsAnnotationUniprot.html @@ -85,7 +85,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsAvgIntensityRT.html b/docs/reference/artmsAvgIntensityRT.html index 6eaeb79..465914e 100644 --- a/docs/reference/artmsAvgIntensityRT.html +++ b/docs/reference/artmsAvgIntensityRT.html @@ -87,7 +87,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsChangeColumnName.html b/docs/reference/artmsChangeColumnName.html index 862db85..0fd7737 100644 --- a/docs/reference/artmsChangeColumnName.html +++ b/docs/reference/artmsChangeColumnName.html @@ -82,7 +82,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsConvertMetabolomics.html b/docs/reference/artmsConvertMetabolomics.html index 9d8fd11..a2afcc5 100644 --- a/docs/reference/artmsConvertMetabolomics.html +++ b/docs/reference/artmsConvertMetabolomics.html @@ -101,7 +101,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsDataPlots.html b/docs/reference/artmsDataPlots.html index 3035955..5b963cd 100644 --- a/docs/reference/artmsDataPlots.html +++ b/docs/reference/artmsDataPlots.html @@ -83,7 +83,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsEnrichLog2fc.html b/docs/reference/artmsEnrichLog2fc.html index 911885f..62d5a69 100644 --- a/docs/reference/artmsEnrichLog2fc.html +++ b/docs/reference/artmsEnrichLog2fc.html @@ -82,7 +82,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsEnrichProfiler.html b/docs/reference/artmsEnrichProfiler.html index 617a134..3723fad 100644 --- a/docs/reference/artmsEnrichProfiler.html +++ b/docs/reference/artmsEnrichProfiler.html @@ -83,7 +83,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsEvidenceToSAINTq.html b/docs/reference/artmsEvidenceToSAINTq.html index d78927f..c4f13db 100644 --- a/docs/reference/artmsEvidenceToSAINTq.html +++ b/docs/reference/artmsEvidenceToSAINTq.html @@ -85,7 +85,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsEvidenceToSaintExpress.html b/docs/reference/artmsEvidenceToSaintExpress.html index e69e767..ef9b613 100644 --- a/docs/reference/artmsEvidenceToSaintExpress.html +++ b/docs/reference/artmsEvidenceToSaintExpress.html @@ -84,7 +84,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsFilterEvidenceContaminants.html b/docs/reference/artmsFilterEvidenceContaminants.html index 8d10ce6..9061f05 100644 --- a/docs/reference/artmsFilterEvidenceContaminants.html +++ b/docs/reference/artmsFilterEvidenceContaminants.html @@ -83,7 +83,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsGeneratePhSiteExtended.html b/docs/reference/artmsGeneratePhSiteExtended.html index 0a4b55f..e57bc89 100644 --- a/docs/reference/artmsGeneratePhSiteExtended.html +++ b/docs/reference/artmsGeneratePhSiteExtended.html @@ -86,7 +86,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsIsEvidenceNewVersion.html b/docs/reference/artmsIsEvidenceNewVersion.html index 853be63..53a1104 100644 --- a/docs/reference/artmsIsEvidenceNewVersion.html +++ b/docs/reference/artmsIsEvidenceNewVersion.html @@ -87,7 +87,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsIsSpeciesSupported.html b/docs/reference/artmsIsSpeciesSupported.html index 8698c2b..e025f11 100644 --- a/docs/reference/artmsIsSpeciesSupported.html +++ b/docs/reference/artmsIsSpeciesSupported.html @@ -83,7 +83,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsLeaveOnlyUniprotEntryID.html b/docs/reference/artmsLeaveOnlyUniprotEntryID.html index 4288a30..b48ed17 100644 --- a/docs/reference/artmsLeaveOnlyUniprotEntryID.html +++ b/docs/reference/artmsLeaveOnlyUniprotEntryID.html @@ -92,7 +92,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsMapUniprot2Entrez.html b/docs/reference/artmsMapUniprot2Entrez.html index 422fd42..bd2774b 100644 --- a/docs/reference/artmsMapUniprot2Entrez.html +++ b/docs/reference/artmsMapUniprot2Entrez.html @@ -82,7 +82,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsMergeEvidenceAndKeys.html b/docs/reference/artmsMergeEvidenceAndKeys.html index fc018e0..8f59259 100644 --- a/docs/reference/artmsMergeEvidenceAndKeys.html +++ b/docs/reference/artmsMergeEvidenceAndKeys.html @@ -82,7 +82,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsMsstatsSummary.html b/docs/reference/artmsMsstatsSummary.html index 4e1c1ce..74763bb 100644 --- a/docs/reference/artmsMsstatsSummary.html +++ b/docs/reference/artmsMsstatsSummary.html @@ -93,7 +93,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsPhosfateOutput.html b/docs/reference/artmsPhosfateOutput.html index 7b5b77b..5d86d94 100644 --- a/docs/reference/artmsPhosfateOutput.html +++ b/docs/reference/artmsPhosfateOutput.html @@ -85,7 +85,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsPhotonOutput.html b/docs/reference/artmsPhotonOutput.html index b2b1af6..f2a9e1c 100644 --- a/docs/reference/artmsPhotonOutput.html +++ b/docs/reference/artmsPhotonOutput.html @@ -85,7 +85,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsPlotHeatmapQuant.html b/docs/reference/artmsPlotHeatmapQuant.html index 6c8bf8e..37c2b34 100644 --- a/docs/reference/artmsPlotHeatmapQuant.html +++ b/docs/reference/artmsPlotHeatmapQuant.html @@ -84,7 +84,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsProtein2SiteConversion.html b/docs/reference/artmsProtein2SiteConversion.html index a1cd11b..d47c142 100644 --- a/docs/reference/artmsProtein2SiteConversion.html +++ b/docs/reference/artmsProtein2SiteConversion.html @@ -104,7 +104,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsQualityControlEvidenceBasic.html b/docs/reference/artmsQualityControlEvidenceBasic.html index c32b746..62c4396 100644 --- a/docs/reference/artmsQualityControlEvidenceBasic.html +++ b/docs/reference/artmsQualityControlEvidenceBasic.html @@ -82,7 +82,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsQualityControlEvidenceExtended.html b/docs/reference/artmsQualityControlEvidenceExtended.html index 138c6ee..7571a41 100644 --- a/docs/reference/artmsQualityControlEvidenceExtended.html +++ b/docs/reference/artmsQualityControlEvidenceExtended.html @@ -83,7 +83,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsQualityControlMetabolomics.html b/docs/reference/artmsQualityControlMetabolomics.html index 8136b6d..7a6172e 100644 --- a/docs/reference/artmsQualityControlMetabolomics.html +++ b/docs/reference/artmsQualityControlMetabolomics.html @@ -83,7 +83,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsQualityControlSummaryExtended.html b/docs/reference/artmsQualityControlSummaryExtended.html index e7c1f3b..739fbce 100644 --- a/docs/reference/artmsQualityControlSummaryExtended.html +++ b/docs/reference/artmsQualityControlSummaryExtended.html @@ -83,7 +83,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsQuantification.html b/docs/reference/artmsQuantification.html index a899d51..d860b70 100644 --- a/docs/reference/artmsQuantification.html +++ b/docs/reference/artmsQuantification.html @@ -87,7 +87,7 @@ artMS - 1.11.1 + 1.10.2 @@ -153,7 +153,9 @@

Relative quantification using MSstats

yaml_config_file, data_object = FALSE, printPDF = TRUE, + printTables = TRUE, display_msstats = FALSE, + return_results_object = FALSE, verbose = TRUE ) @@ -174,10 +176,25 @@

Arg printPDF

(logical) if TRUE (default), prints out pdf

+ + printTables +

(logical) TRUE (default) print results tables

+ display_msstats

(logical) if TRUE, prints MSstats outputs (default is FALSE)

+ + return_results_object +

(logical) Default is FALSE. +If TRUE, it returns a list of data frames with MSstats results, including:

+ verbose

(logical) TRUE (default) shows function messages

@@ -191,9 +208,22 @@

Value

addition to quality control plots (if selected)

Examples

-
if (FALSE) { -artmsQuantification(yaml_config_file = "path/to/artms-ab-config.yaml") -} +
# Recommended +# artmsQuantification(yaml_config_file = "your-config-file.yaml") + +# Example to test this function using the example dataset available in artMS +# Step 1: Add evidence, keys, and contrast to configuration object +artms_data_ph_config$files$evidence <- artms_data_ph_evidence +artms_data_ph_config$files$keys <- artms_data_ph_keys +artms_data_ph_config$files$contrasts <- artms_data_ph_contrast + +# Step 2: Run the quantification step +quant_results <- artmsQuantification(yaml_config_file = artms_data_ph_config, + data_object = TRUE, + display_msstats = FALSE, + printPDF = FALSE, + printTables = FALSE) +
#> --------------------------------------------
#> artMS: Relative Quantification using MSstats
#> --------------------------------------------
#> >> Reading the configuration file
#> >> LOADING DATA
#> >> MERGING FILES
#> >> CONVERT Intensity values < 1 to NA
#> >> FILTERING
#> -- Contaminants CON__|REV__ removed
#> -- Removing protein groups
#> -- Use <Leading.razor.protein> as Protein ID
#> >> CONVERTING THE DATA TO MSSTATS FORMAT
#> -- Selecting Sequence Type: MaxQuant 'Modified.sequence' column
#> (+) <Fraction> column added (with value 1, MSstats requirement)
#> -- Adding NA values for missing values (required by MSstats)
#> >> RUNNING MSstats (it usually takes a 'long' time: please, be patient)
#> (MSstats messages are turned off. Select <display_msstats = TRUE> to activate MSstats outputs)
#> >> MSstats done
# Check the list of data frames "quant_results". Nothing should be printed out.
diff --git a/docs/reference/artmsSILACtoLong.html b/docs/reference/artmsSILACtoLong.html index f97419a..47b3919 100644 --- a/docs/reference/artmsSILACtoLong.html +++ b/docs/reference/artmsSILACtoLong.html @@ -84,7 +84,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsSpectralCounts.html b/docs/reference/artmsSpectralCounts.html index 6e187cf..a1ec79d 100644 --- a/docs/reference/artmsSpectralCounts.html +++ b/docs/reference/artmsSpectralCounts.html @@ -82,7 +82,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsVolcanoPlot.html b/docs/reference/artmsVolcanoPlot.html index 4926120..c1c8974 100644 --- a/docs/reference/artmsVolcanoPlot.html +++ b/docs/reference/artmsVolcanoPlot.html @@ -82,7 +82,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artmsWriteConfigYamlFile.html b/docs/reference/artmsWriteConfigYamlFile.html index c9b2596..da7dcd0 100644 --- a/docs/reference/artmsWriteConfigYamlFile.html +++ b/docs/reference/artmsWriteConfigYamlFile.html @@ -85,7 +85,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_config.html b/docs/reference/artms_config.html index c511b68..3c52b9b 100644 --- a/docs/reference/artms_config.html +++ b/docs/reference/artms_config.html @@ -84,7 +84,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_corum_mito_database.html b/docs/reference/artms_data_corum_mito_database.html index f4474d1..0a8569d 100644 --- a/docs/reference/artms_data_corum_mito_database.html +++ b/docs/reference/artms_data_corum_mito_database.html @@ -88,7 +88,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_pathogen_LPN.html b/docs/reference/artms_data_pathogen_LPN.html index 932fc26..5ff6dbb 100644 --- a/docs/reference/artms_data_pathogen_LPN.html +++ b/docs/reference/artms_data_pathogen_LPN.html @@ -85,7 +85,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_pathogen_TB.html b/docs/reference/artms_data_pathogen_TB.html index 36b6ba0..b885bcf 100644 --- a/docs/reference/artms_data_pathogen_TB.html +++ b/docs/reference/artms_data_pathogen_TB.html @@ -85,7 +85,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_ph_config.html b/docs/reference/artms_data_ph_config.html index 1fa8c2c..4272997 100644 --- a/docs/reference/artms_data_ph_config.html +++ b/docs/reference/artms_data_ph_config.html @@ -83,7 +83,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_ph_contrast.html b/docs/reference/artms_data_ph_contrast.html index a39838d..b66f54a 100644 --- a/docs/reference/artms_data_ph_contrast.html +++ b/docs/reference/artms_data_ph_contrast.html @@ -84,7 +84,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_ph_evidence.html b/docs/reference/artms_data_ph_evidence.html index 04233d2..edd2b11 100644 --- a/docs/reference/artms_data_ph_evidence.html +++ b/docs/reference/artms_data_ph_evidence.html @@ -89,7 +89,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_ph_keys.html b/docs/reference/artms_data_ph_keys.html index b8eaa96..0f33ac1 100644 --- a/docs/reference/artms_data_ph_keys.html +++ b/docs/reference/artms_data_ph_keys.html @@ -86,7 +86,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_ph_msstats_modelqc.html b/docs/reference/artms_data_ph_msstats_modelqc.html index a008c22..b2c5248 100644 --- a/docs/reference/artms_data_ph_msstats_modelqc.html +++ b/docs/reference/artms_data_ph_msstats_modelqc.html @@ -83,7 +83,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_ph_msstats_results.html b/docs/reference/artms_data_ph_msstats_results.html index 4f27e86..63cfeaf 100644 --- a/docs/reference/artms_data_ph_msstats_results.html +++ b/docs/reference/artms_data_ph_msstats_results.html @@ -85,7 +85,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/artms_data_randomDF.html b/docs/reference/artms_data_randomDF.html index fe9adc3..e12703f 100644 --- a/docs/reference/artms_data_randomDF.html +++ b/docs/reference/artms_data_randomDF.html @@ -82,7 +82,7 @@ artMS - 1.11.1 + 1.10.2 diff --git a/docs/reference/index.html b/docs/reference/index.html index 23fc4d6..b6905aa 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -81,7 +81,7 @@ artMS - 1.11.1 + 1.10.2