artms_config: artMS configuration template

In artMS: Analytical R tools for Mass Spectrometry

Description

The configuration file in yaml format contains the configuration details required to run artmsQuantification(), which includes quality control functions

Usage

artms_config

Format

The configuration (yaml) file contains the following sections:

files

• evidence : /path/to/the/evidence.txt

• keys : /path/to/the/keys.txt

• contrasts : /path/to/the/contrast.txt

• summary : /path/to/the/summary.txt

• output : /path/to/the/output/results/results.txt

qc

• basic: 1 # 1 = yes; 0 = no

• extended: 1 # 1 = yes; 0 = no

• extendedSummary: 0 # 1 = yes; 0 = no

data

• enabled : 1 # 1 = yes; 0 = no

• fractions:

  • enabled : 0 # 1 for protein fractionation

• silac:

  • enabled : 0 # 1 for SILAC experiments

• filters:

  • enabled : 1

• contaminants : 1

• protein_groups : remove #remove, keep

• modifications : ab # PH, UB, AB, APMS

• sample_plots : 1 # correlation plots

msstats

• enabled : 1

• msstats_input : # blank if not previous msstats input file is available

• profilePlots : none # before, after, before-after, none

• normalization_method : equalizeMedians # globalStandards (include a reference protein(s) ), equalizeMedians, quantile, 0

• normalization_reference : #should be a value in the Protein column

• summaryMethod : TMP # "TMP"(default) means Tukey's median polish, which is robust estimation method. "linear" uses linear mixed model. "logOfSum" conducts log2 (sum of intensities) per run.

• censoredInt : NA # Missing values are censored or at random. 'NA' (default) assumes that all 'NA's in 'Intensity' column are censored. '0' uses zero intensities as censored intensity. In this case, NA intensities are missing at random. The output from Skyline should use '0'. Null assumes that all NA intensites are randomly missing.

• cutoffCensored : minFeature # Cutoff value for censoring. only with censoredInt='NA' or '0'. Default is 'minFeature', which uses minimum value for each feature.'minFeatureNRun' uses the smallest between minimum value of corresponding feature and minimum value of corresponding run. 'minRun' uses minumum value for each run.

• MBimpute : 1 # only for summaryMethod="TMP" and censoredInt='NA' or '0'. TRUE (default) imputes 'NA' or '0' (depending on censoredInt option) by Accelated failure model. FALSE uses the values assigned by cutoffCensored.

• feature_subset: all # all|highQuality : highQuality seems to be buggy right now

output_extras

• output_extras :

  • enabled : 1 # if 0, it wont do anything in this section

• annotate :

  • enabled: 1 # 1|0 whether to annotate the proteins in the results or not

• species : HUMAN # Supported species: HUMAN, MOUSE, ANOPHELES, ARABIDOPSIS, BOVINE, WORM, CANINE, FLY, ZEBRAFISH, ECOLI_STRAIN_K12, ECOLI_STRAIN_SAKAI, CHICKEN, RHESUS, MALARIA, CHIMP, RAT, YEAST, PIG, XENOPUS

• plots:

  • volcano: 1

  • heatmap: 1

  • LFC : -1.5 1.5 # Range of minimal log2fc

  • FDR : 0.05

  • heatmap_cluster_cols : 0

  • heatmap_display : log2FC # log2FC or pvalue

artMS documentation built on April 14, 2021, 6 p.m.