diff --git a/inst/pipelines/_targets.R b/inst/pipelines/_targets.R index bf6ea2974..8e36e9c03 100644 --- a/inst/pipelines/_targets.R +++ b/inst/pipelines/_targets.R @@ -1332,26 +1332,11 @@ list( x = par_ann_spe$files$annotations$raw$spectral, fixed = TRUE ), - method = par_ann_spe$annotations$ms2$method, threshold = par_ann_spe$annotations$ms2$thresholds$similarity, ppm = par_ann_spe$ms$tolerances$mass$ppm$ms2, dalton = par_ann_spe$ms$tolerances$mass$dalton$ms2, - npeaks = par_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - absolute, - rpeaks = par_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - ratio, - condition = par_ann_spe$annotations$ms2$thresholds$condition, qutoff = par_ann_spe$ms$intensity$thresholds$ms2, parallel = par_ann_spe$options$parallel, - fast = par_ann_spe$options$fast, approx = par_ann_spe$annotations$ms2$approx, parameters = par_ann_spe ) @@ -1370,26 +1355,11 @@ list( x = par_ann_spe$files$annotations$raw$spectral, fixed = TRUE ), - method = par_ann_spe$annotations$ms2$method, threshold = par_ann_spe$annotations$ms2$thresholds$similarity, ppm = par_ann_spe$ms$tolerances$mass$ppm$ms2, dalton = par_ann_spe$ms$tolerances$mass$dalton$ms2, - npeaks = par_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - absolute, - rpeaks = par_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - ratio, - condition = par_ann_spe$annotations$ms2$thresholds$condition, qutoff = par_ann_spe$ms$intensity$thresholds$ms2, parallel = par_ann_spe$options$parallel, - fast = par_ann_spe$options$fast, approx = par_ann_spe$annotations$ms2$approx, parameters = par_ann_spe ) @@ -1437,26 +1407,11 @@ list( x = par_ann_spe$files$annotations$raw$spectral, fixed = TRUE ), - method = par_ann_spe$annotations$ms2$method, threshold = par_ann_spe$annotations$ms2$thresholds$similarity, ppm = par_ann_spe$ms$tolerances$mass$ppm$ms2, dalton = par_ann_spe$ms$tolerances$mass$dalton$ms2, - npeaks = par_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - absolute, - rpeaks = par_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - ratio, - condition = par_ann_spe$annotations$ms2$thresholds$condition, qutoff = par_ann_spe$ms$intensity$thresholds$ms2, parallel = par_ann_spe$options$parallel, - fast = par_ann_spe$options$fast, approx = par_ann_spe$annotations$ms2$approx, parameters = par_ann_spe ) @@ -1475,26 +1430,11 @@ list( x = par_ann_spe$files$annotations$raw$spectral, fixed = TRUE ), - method = par_ann_spe$annotations$ms2$method, threshold = par_ann_spe$annotations$ms2$thresholds$similarity, ppm = par_ann_spe$ms$tolerances$mass$ppm$ms2, dalton = par_ann_spe$ms$tolerances$mass$dalton$ms2, - npeaks = par_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - absolute, - rpeaks = par_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - ratio, - condition = par_ann_spe$annotations$ms2$thresholds$condition, qutoff = par_ann_spe$ms$intensity$thresholds$ms2, parallel = par_ann_spe$options$parallel, - fast = par_ann_spe$options$fast, approx = par_ann_spe$annotations$ms2$approx, parameters = par_ann_spe ) @@ -1550,7 +1490,6 @@ list( output = par_cre_edg_spe$files$networks$spectral$edges$raw, name_source = par_cre_edg_spe$names$source, name_target = par_cre_edg_spe$names$target, - method = par_cre_edg_spe$annotations$ms2$method, threshold = par_cre_edg_spe$ annotations$ ms2$ @@ -1558,26 +1497,8 @@ list( similarity, ppm = par_cre_edg_spe$ms$tolerances$mass$ppm$ms2, dalton = par_cre_edg_spe$ms$tolerances$mass$dalton$ms2, - npeaks = par_cre_edg_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - absolute, - rpeaks = par_cre_edg_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - ratio, - condition = par_cre_edg_spe$ - annotations$ - ms2$ - thresholds$ - condition, qutoff = par_cre_edg_spe$ms$intensity$thresholds$ms2, parallel = par_cre_edg_spe$options$parallel, - fast = par_cre_edg_spe$options$fast, parameters = par_cre_edg_spe ) } @@ -2180,7 +2101,6 @@ list( output = "data/interim/benchmark/benchmark_edges_spe_pos.tsv.gz", name_source = def_cre_edg_spe$names$source, name_target = def_cre_edg_spe$names$target, - method = def_cre_edg_spe$annotations$ms2$method, threshold = def_cre_edg_spe$ annotations$ ms2$ @@ -2188,26 +2108,8 @@ list( similarity, ppm = def_cre_edg_spe$ms$tolerances$mass$ppm$ms2, dalton = def_cre_edg_spe$ms$tolerances$mass$dalton$ms2, - npeaks = def_cre_edg_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - absolute, - rpeaks = def_cre_edg_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - ratio, - condition = def_cre_edg_spe$ - annotations$ - ms2$ - thresholds$ - condition, qutoff = 0, parallel = TRUE, - fast = FALSE, parameters = def_cre_edg_spe ) } @@ -2220,7 +2122,6 @@ list( output = "data/interim/benchmark/benchmark_edges_spe_neg.tsv.gz", name_source = def_cre_edg_spe$names$source, name_target = def_cre_edg_spe$names$target, - method = def_cre_edg_spe$annotations$ms2$method, threshold = def_cre_edg_spe$ annotations$ ms2$ @@ -2228,26 +2129,8 @@ list( similarity, ppm = def_cre_edg_spe$ms$tolerances$mass$ppm$ms2, dalton = def_cre_edg_spe$ms$tolerances$mass$dalton$ms2, - npeaks = def_cre_edg_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - absolute, - rpeaks = def_cre_edg_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - ratio, - condition = def_cre_edg_spe$ - annotations$ - ms2$ - thresholds$ - condition, qutoff = 0, parallel = TRUE, - fast = FALSE, parameters = def_cre_edg_spe ) } @@ -2370,26 +2253,11 @@ list( library = lib_spe_is_lot_pre_pos, polarity = "pos", output = "data/interim/benchmark/benchmark_ann_spe_pos.tsv.gz", - method = def_ann_spe$annotations$ms2$method, threshold = def_ann_spe$annotations$ms2$thresholds$similarity, ppm = def_ann_spe$ms$tolerances$mass$ppm$ms2, dalton = def_ann_spe$ms$tolerances$mass$dalton$ms2, - npeaks = def_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - absolute, - rpeaks = def_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - ratio, - condition = def_ann_spe$annotations$ms2$thresholds$condition, qutoff = 0, parallel = TRUE, - fast = def_ann_spe$options$fast, approx = def_ann_spe$annotations$ms2$approx, parameters = def_ann_spe ) @@ -2403,26 +2271,11 @@ list( library = lib_spe_is_lot_pre_neg, polarity = "neg", output = "data/interim/benchmark/benchmark_ann_spe_neg.tsv.gz", - method = def_ann_spe$annotations$ms2$method, threshold = def_ann_spe$annotations$ms2$thresholds$similarity, ppm = def_ann_spe$ms$tolerances$mass$ppm$ms2, dalton = def_ann_spe$ms$tolerances$mass$dalton$ms2, - npeaks = def_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - absolute, - rpeaks = def_ann_spe$ - annotations$ - ms2$ - thresholds$ - peaks$ - ratio, - condition = def_ann_spe$annotations$ms2$thresholds$condition, qutoff = 0, parallel = TRUE, - fast = def_ann_spe$options$fast, approx = def_ann_spe$annotations$ms2$approx, parameters = def_ann_spe )