Macarron is a workflow to systematically annotate and prioritize potentially bioactive (and often unannotated) small molecules in microbial community metabolomic datasets. Macarron prioritizes metabolic features as potentially bioactive in a phenotype/condition of interest using a combination of (a) covariance with annotated metabolites, (b) ecological properties such as abundance with respect to covarying annotated compounds, and (c) differential abundance in the phenotype/condition of interest.
If you have questions, please direct it to: Macarron Forum
Macarron requires R version 4.2.0 or higher. Install Bioconductor and then install Macarron:
if(!requireNamespace("BiocManager", quietly = TRUE))
install.packages("BiocManager")
BiocManager::install("Macarron")
Macarron can be run from the command line or as an R function. Both methods require the same
arguments, have the same options, and use the same default settings. The package includes the
wrapper Macarron()
as well as functions which perform different steps in the Macarron
framework.
Macarron requires 4 comma-separated, appropriately formatted input files. The files and their formatting constraints are described below.
If you do not have the chemical taxonomy file, you can generate this file using the annotation dataframe and Macarron utility decorate_ID
(see Advanced Topics).
By default, all files will be stored in a folder named Macarron_output inside the current working directory. The main prioritization results are stored in prioritized_metabolites_all.csv
. Another file, prioritized_metabolites_characterizable.csv
is a subset of prioritized_metabolites_all.csv
and only contains metabolic features which covary with at least one annotated metabolite.
The columns in these output files are:
Maaslin2
.Example (demo) input files can be found under inst/extdata
folder of the Macarron
source. These files were generated from the PRISM study of stool metabolomes of individuals with inflammatory bowel disease (IBD) and healthy “Control” individuals. Control and IBD are the two phenotypes in this example. Macarron will be applied to prioritize metabolic features with respect to their bioactivity in IBD. Therefore, in this example, the phenotype of interest is “IBD” and the reference phenotype is “Control”. The four input files are demo_abundances.csv
, demo_annotations.csv
, demo_metadata.csv
, and demo_taxonomy.csv
.
library(Macarron)
## Loading required package: SummarizedExperiment
## Loading required package: MatrixGenerics
## Loading required package: matrixStats
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## Attaching package: 'MatrixGenerics'
## The following objects are masked from 'package:matrixStats':
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## colProds, colQuantiles, colRanges, colRanks, colSdDiffs, colSds,
## colSums2, colTabulates, colVarDiffs, colVars, colWeightedMads,
## colWeightedMeans, colWeightedMedians, colWeightedSds,
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## Loading required package: Biobase
## Welcome to Bioconductor
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## Vignettes contain introductory material; view with
## 'browseVignettes()'. To cite Bioconductor, see
## 'citation("Biobase")', and for packages 'citation("pkgname")'.
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prism_abundances <- system.file(
'extdata','demo_abundances.csv', package="Macarron")
prism_annotations <-system.file(
'extdata','demo_annotations.csv', package="Macarron")
prism_metadata <-system.file(
'extdata','demo_metadata.csv', package="Macarron")
mets_taxonomy <-system.file(
'extdata','demo_taxonomy.csv', package="Macarron")
prism_prioritized <- Macarron::Macarron(input_abundances = prism_abundances,
input_annotations = prism_annotations,
input_metadata = prism_metadata,
input_taxonomy = mets_taxonomy)
## 2024-04-30 20:48:35.917008 INFO::Creating output folder.
## 2024-04-30 20:48:35.933704 INFO::Writing function arguments to log file
## Samples with both abundances and metadata: 102
## 2024-04-30 20:48:35.999068 INFO::Summarized Experiment created.
## 2024-04-30 20:48:36.001224 INFO::Metadata chosen for prevalence filtering: diagnosis
## 869 features pass chosen minimum prevalence threshold of 0.7.
## Calculating pairwise correlations in phenotype: IBD
##
## Calculating pairwise correlations in phenotype: Control
## Distance matrix with 869 features created.
## 2024-04-30 20:48:42.146498 INFO::Distance matrix with 869 metabolic features created.
## Initiating module detection
## 2024-04-30 20:48:42.148317 INFO::Minimum module size used for this dataset: 10
## Tree constructed
## Evaluating measures of success
## ..cutHeight not given, setting it to 0.99 ===> 99% of the (truncated) height range in dendro.
## ..done.
## ..cutHeight not given, setting it to 0.99 ===> 99% of the (truncated) height range in dendro.
## ..done.
## ..cutHeight not given, setting it to 0.99 ===> 99% of the (truncated) height range in dendro.
## ..done.
## ..cutHeight not given, setting it to 0.99 ===> 99% of the (truncated) height range in dendro.
## ..done.
## ..cutHeight not given, setting it to 0.99 ===> 99% of the (truncated) height range in dendro.
## ..done.
## 2024-04-30 20:48:44.555942 INFO::Total number of modules detected: 30
## Initiating AVA calculations
## Finding anchors
## Calculating AVA
## Initiating q-value calculations
## [1] "Creating output folder"
## [1] "Creating output feature tables folder"
## [1] "Creating output fits folder"
## [1] "Creating output figures folder"
## 2024-04-30 20:48:46.592299 INFO::Writing function arguments to log file
## 2024-04-30 20:48:46.599492 INFO::Verifying options selected are valid
## 2024-04-30 20:48:46.655589 INFO::Determining format of input files
## 2024-04-30 20:48:46.657095 INFO::Input format is data samples as columns and metadata samples as rows
## 2024-04-30 20:48:46.676011 INFO::Formula for fixed effects: expr ~ diagnosis + age + antibiotics
## 2024-04-30 20:48:46.67812 INFO::Filter data based on min abundance and min prevalence
## 2024-04-30 20:48:46.678936 INFO::Total samples in data: 102
## 2024-04-30 20:48:46.679643 INFO::Min samples required with min abundance for a feature not to be filtered: 0.000000
## 2024-04-30 20:48:46.69256 INFO::Total filtered features: 0
## 2024-04-30 20:48:46.693873 INFO::Filtered feature names from abundance and prevalence filtering:
## 2024-04-30 20:48:46.714215 INFO::Total filtered features with variance filtering: 0
## 2024-04-30 20:48:46.715574 INFO::Filtered feature names from variance filtering:
## 2024-04-30 20:48:46.716288 INFO::Running selected normalization method: NONE
## 2024-04-30 20:48:46.717087 INFO::Applying z-score to standardize continuous metadata
## 2024-04-30 20:48:46.749174 INFO::Running selected transform method: NONE
## 2024-04-30 20:48:46.750395 INFO::Running selected analysis method: LM
## 2024-04-30 20:48:46.758056 INFO::Fitting model to feature number 1, F1
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## 2024-04-30 20:48:47.466401 INFO::Fitting model to feature number 185, F191
## 2024-04-30 20:48:47.469963 INFO::Fitting model to feature number 186, F192
## 2024-04-30 20:48:47.473558 INFO::Fitting model to feature number 187, F193
## 2024-04-30 20:48:47.477063 INFO::Fitting model to feature number 188, F194
## 2024-04-30 20:48:47.480545 INFO::Fitting model to feature number 189, F195
## 2024-04-30 20:48:47.484085 INFO::Fitting model to feature number 190, F196
## 2024-04-30 20:48:47.487612 INFO::Fitting model to feature number 191, F197
## 2024-04-30 20:48:47.491108 INFO::Fitting model to feature number 192, F198
## 2024-04-30 20:48:47.494827 INFO::Fitting model to feature number 193, F199
## 2024-04-30 20:48:47.49837 INFO::Fitting model to feature number 194, F200
## 2024-04-30 20:48:47.501877 INFO::Fitting model to feature number 195, F201
## 2024-04-30 20:48:47.505341 INFO::Fitting model to feature number 196, F202
## 2024-04-30 20:48:47.508808 INFO::Fitting model to feature number 197, F203
## 2024-04-30 20:48:47.51226 INFO::Fitting model to feature number 198, F204
## 2024-04-30 20:48:47.515846 INFO::Fitting model to feature number 199, F206
## 2024-04-30 20:48:47.519316 INFO::Fitting model to feature number 200, F207
## 2024-04-30 20:48:47.522798 INFO::Fitting model to feature number 201, F208
## 2024-04-30 20:48:47.526282 INFO::Fitting model to feature number 202, F209
## 2024-04-30 20:48:47.529794 INFO::Fitting model to feature number 203, F210
## 2024-04-30 20:48:47.53333 INFO::Fitting model to feature number 204, F211
## 2024-04-30 20:48:47.536816 INFO::Fitting model to feature number 205, F212
## 2024-04-30 20:48:47.540254 INFO::Fitting model to feature number 206, F213
## 2024-04-30 20:48:47.543805 INFO::Fitting model to feature number 207, F214
## 2024-04-30 20:48:47.547334 INFO::Fitting model to feature number 208, F215
## 2024-04-30 20:48:47.550832 INFO::Fitting model to feature number 209, F216
## 2024-04-30 20:48:47.554328 INFO::Fitting model to feature number 210, F217
## 2024-04-30 20:48:47.557826 INFO::Fitting model to feature number 211, F218
## 2024-04-30 20:48:47.561261 INFO::Fitting model to feature number 212, F219
## 2024-04-30 20:48:47.564688 INFO::Fitting model to feature number 213, F220
## 2024-04-30 20:48:47.568177 INFO::Fitting model to feature number 214, F221
## 2024-04-30 20:48:47.571684 INFO::Fitting model to feature number 215, F222
## 2024-04-30 20:48:47.575258 INFO::Fitting model to feature number 216, F223
## 2024-04-30 20:48:47.579067 INFO::Fitting model to feature number 217, F224
## 2024-04-30 20:48:47.582846 INFO::Fitting model to feature number 218, F225
## 2024-04-30 20:48:47.586404 INFO::Fitting model to feature number 219, F226
## 2024-04-30 20:48:47.589966 INFO::Fitting model to feature number 220, F227
## 2024-04-30 20:48:47.593572 INFO::Fitting model to feature number 221, F228
## 2024-04-30 20:48:47.648497 INFO::Fitting model to feature number 222, F229
## 2024-04-30 20:48:47.653467 INFO::Fitting model to feature number 223, F230
## 2024-04-30 20:48:47.657824 INFO::Fitting model to feature number 224, F231
## 2024-04-30 20:48:47.662069 INFO::Fitting model to feature number 225, F232
## 2024-04-30 20:48:47.666141 INFO::Fitting model to feature number 226, F233
## 2024-04-30 20:48:47.670259 INFO::Fitting model to feature number 227, F234
## 2024-04-30 20:48:47.674481 INFO::Fitting model to feature number 228, F235
## 2024-04-30 20:48:47.678634 INFO::Fitting model to feature number 229, F236
## 2024-04-30 20:48:47.682851 INFO::Fitting model to feature number 230, F237
## 2024-04-30 20:48:47.686824 INFO::Fitting model to feature number 231, F238
## 2024-04-30 20:48:47.69084 INFO::Fitting model to feature number 232, F239
## 2024-04-30 20:48:47.694986 INFO::Fitting model to feature number 233, F240
## 2024-04-30 20:48:47.698966 INFO::Fitting model to feature number 234, F241
## 2024-04-30 20:48:47.702933 INFO::Fitting model to feature number 235, F242
## 2024-04-30 20:48:47.707109 INFO::Fitting model to feature number 236, F243
## 2024-04-30 20:48:47.711292 INFO::Fitting model to feature number 237, F244
## 2024-04-30 20:48:47.715427 INFO::Fitting model to feature number 238, F245
## 2024-04-30 20:48:47.719432 INFO::Fitting model to feature number 239, F246
## 2024-04-30 20:48:47.72345 INFO::Fitting model to feature number 240, F247
## 2024-04-30 20:48:47.72752 INFO::Fitting model to feature number 241, F248
## 2024-04-30 20:48:47.731675 INFO::Fitting model to feature number 242, F249
## 2024-04-30 20:48:47.735705 INFO::Fitting model to feature number 243, F250
## 2024-04-30 20:48:47.739718 INFO::Fitting model to feature number 244, F252
## 2024-04-30 20:48:47.743702 INFO::Fitting model to feature number 245, F253
## 2024-04-30 20:48:47.747521 INFO::Fitting model to feature number 246, F254
## 2024-04-30 20:48:47.751334 INFO::Fitting model to feature number 247, F255
## 2024-04-30 20:48:47.754974 INFO::Fitting model to feature number 248, F256
## 2024-04-30 20:48:47.758631 INFO::Fitting model to feature number 249, F257
## 2024-04-30 20:48:47.762461 INFO::Fitting model to feature number 250, F259
## 2024-04-30 20:48:47.766394 INFO::Fitting model to feature number 251, F260
## 2024-04-30 20:48:47.770368 INFO::Fitting model to feature number 252, F261
## 2024-04-30 20:48:47.774408 INFO::Fitting model to feature number 253, F262
## 2024-04-30 20:48:47.778417 INFO::Fitting model to feature number 254, F263
## 2024-04-30 20:48:47.782466 INFO::Fitting model to feature number 255, F264
## 2024-04-30 20:48:47.786442 INFO::Fitting model to feature number 256, F265
## 2024-04-30 20:48:47.790469 INFO::Fitting model to feature number 257, F266
## 2024-04-30 20:48:47.794632 INFO::Fitting model to feature number 258, F267
## 2024-04-30 20:48:47.798632 INFO::Fitting model to feature number 259, F269
## 2024-04-30 20:48:47.802619 INFO::Fitting model to feature number 260, F270
## 2024-04-30 20:48:47.806604 INFO::Fitting model to feature number 261, F271
## 2024-04-30 20:48:47.810777 INFO::Fitting model to feature number 262, F272
## 2024-04-30 20:48:47.814835 INFO::Fitting model to feature number 263, F273
## 2024-04-30 20:48:47.818925 INFO::Fitting model to feature number 264, F274
## 2024-04-30 20:48:47.823006 INFO::Fitting model to feature number 265, F276
## 2024-04-30 20:48:47.827166 INFO::Fitting model to feature number 266, F277
## 2024-04-30 20:48:47.831418 INFO::Fitting model to feature number 267, F278
## 2024-04-30 20:48:47.835505 INFO::Fitting model to feature number 268, F279
## 2024-04-30 20:48:47.839422 INFO::Fitting model to feature number 269, F280
## 2024-04-30 20:48:47.843533 INFO::Fitting model to feature number 270, F281
## 2024-04-30 20:48:47.847586 INFO::Fitting model to feature number 271, F282
## 2024-04-30 20:48:47.851653 INFO::Fitting model to feature number 272, F283
## 2024-04-30 20:48:47.855624 INFO::Fitting model to feature number 273, F284
## 2024-04-30 20:48:47.859701 INFO::Fitting model to feature number 274, F285
## 2024-04-30 20:48:47.863917 INFO::Fitting model to feature number 275, F286
## 2024-04-30 20:48:47.868029 INFO::Fitting model to feature number 276, F287
## 2024-04-30 20:48:47.87209 INFO::Fitting model to feature number 277, F288
## 2024-04-30 20:48:47.876181 INFO::Fitting model to feature number 278, F289
## 2024-04-30 20:48:47.880437 INFO::Fitting model to feature number 279, F290
## 2024-04-30 20:48:47.88458 INFO::Fitting model to feature number 280, F292
## 2024-04-30 20:48:47.888612 INFO::Fitting model to feature number 281, F293
## 2024-04-30 20:48:47.892748 INFO::Fitting model to feature number 282, F294
## 2024-04-30 20:48:47.896906 INFO::Fitting model to feature number 283, F295
## 2024-04-30 20:48:47.90103 INFO::Fitting model to feature number 284, F296
## 2024-04-30 20:48:47.905177 INFO::Fitting model to feature number 285, F297
## 2024-04-30 20:48:47.909209 INFO::Fitting model to feature number 286, F298
## 2024-04-30 20:48:47.913448 INFO::Fitting model to feature number 287, F299
## 2024-04-30 20:48:47.917598 INFO::Fitting model to feature number 288, F300
## 2024-04-30 20:48:47.921818 INFO::Fitting model to feature number 289, F301
## 2024-04-30 20:48:47.926148 INFO::Fitting model to feature number 290, F302
## 2024-04-30 20:48:47.930453 INFO::Fitting model to feature number 291, F303
## 2024-04-30 20:48:47.934612 INFO::Fitting model to feature number 292, F304
## 2024-04-30 20:48:47.938734 INFO::Fitting model to feature number 293, F305
## 2024-04-30 20:48:47.942739 INFO::Fitting model to feature number 294, F306
## 2024-04-30 20:48:47.946852 INFO::Fitting model to feature number 295, F307
## 2024-04-30 20:48:47.951086 INFO::Fitting model to feature number 296, F308
## 2024-04-30 20:48:47.955196 INFO::Fitting model to feature number 297, F309
## 2024-04-30 20:48:47.959242 INFO::Fitting model to feature number 298, F310
## 2024-04-30 20:48:47.96332 INFO::Fitting model to feature number 299, F311
## 2024-04-30 20:48:47.967481 INFO::Fitting model to feature number 300, F312
## 2024-04-30 20:48:47.971606 INFO::Fitting model to feature number 301, F313
## 2024-04-30 20:48:47.97582 INFO::Fitting model to feature number 302, F315
## 2024-04-30 20:48:47.979799 INFO::Fitting model to feature number 303, F316
## 2024-04-30 20:48:47.984519 INFO::Fitting model to feature number 304, F317
## 2024-04-30 20:48:47.988578 INFO::Fitting model to feature number 305, F318
## 2024-04-30 20:48:47.992294 INFO::Fitting model to feature number 306, F319
## 2024-04-30 20:48:47.995954 INFO::Fitting model to feature number 307, F320
## 2024-04-30 20:48:47.999572 INFO::Fitting model to feature number 308, F321
## 2024-04-30 20:48:48.003146 INFO::Fitting model to feature number 309, F322
## 2024-04-30 20:48:48.006758 INFO::Fitting model to feature number 310, F323
## 2024-04-30 20:48:48.010272 INFO::Fitting model to feature number 311, F324
## 2024-04-30 20:48:48.013825 INFO::Fitting model to feature number 312, F325
## 2024-04-30 20:48:48.017417 INFO::Fitting model to feature number 313, F326
## 2024-04-30 20:48:48.021011 INFO::Fitting model to feature number 314, F327
## 2024-04-30 20:48:48.0246 INFO::Fitting model to feature number 315, F328
## 2024-04-30 20:48:48.028198 INFO::Fitting model to feature number 316, F329
## 2024-04-30 20:48:48.031813 INFO::Fitting model to feature number 317, F330
## 2024-04-30 20:48:48.035406 INFO::Fitting model to feature number 318, F331
## 2024-04-30 20:48:48.038974 INFO::Fitting model to feature number 319, F332
## 2024-04-30 20:48:48.042524 INFO::Fitting model to feature number 320, F333
## 2024-04-30 20:48:48.046066 INFO::Fitting model to feature number 321, F334
## 2024-04-30 20:48:48.049554 INFO::Fitting model to feature number 322, F335
## 2024-04-30 20:48:48.053076 INFO::Fitting model to feature number 323, F336
## 2024-04-30 20:48:48.056576 INFO::Fitting model to feature number 324, F337
## 2024-04-30 20:48:48.060095 INFO::Fitting model to feature number 325, F338
## 2024-04-30 20:48:48.063711 INFO::Fitting model to feature number 326, F339
## 2024-04-30 20:48:48.067281 INFO::Fitting model to feature number 327, F340
## 2024-04-30 20:48:48.070808 INFO::Fitting model to feature number 328, F342
## 2024-04-30 20:48:48.074348 INFO::Fitting model to feature number 329, F343
## 2024-04-30 20:48:48.077902 INFO::Fitting model to feature number 330, F344
## 2024-04-30 20:48:48.081508 INFO::Fitting model to feature number 331, F345
## 2024-04-30 20:48:48.085199 INFO::Fitting model to feature number 332, F346
## 2024-04-30 20:48:48.088807 INFO::Fitting model to feature number 333, F347
## 2024-04-30 20:48:48.092416 INFO::Fitting model to feature number 334, F348
## 2024-04-30 20:48:48.095984 INFO::Fitting model to feature number 335, F350
## 2024-04-30 20:48:48.099515 INFO::Fitting model to feature number 336, F351
## 2024-04-30 20:48:48.103154 INFO::Fitting model to feature number 337, F352
## 2024-04-30 20:48:48.106688 INFO::Fitting model to feature number 338, F353
## 2024-04-30 20:48:48.110241 INFO::Fitting model to feature number 339, F355
## 2024-04-30 20:48:48.113773 INFO::Fitting model to feature number 340, F356
## 2024-04-30 20:48:48.11735 INFO::Fitting model to feature number 341, F357
## 2024-04-30 20:48:48.120919 INFO::Fitting model to feature number 342, F358
## 2024-04-30 20:48:48.124473 INFO::Fitting model to feature number 343, F359
## 2024-04-30 20:48:48.128009 INFO::Fitting model to feature number 344, F360
## 2024-04-30 20:48:48.131517 INFO::Fitting model to feature number 345, F361
## 2024-04-30 20:48:48.13513 INFO::Fitting model to feature number 346, F362
## 2024-04-30 20:48:48.138716 INFO::Fitting model to feature number 347, F363
## 2024-04-30 20:48:48.142187 INFO::Fitting model to feature number 348, F364
## 2024-04-30 20:48:48.145709 INFO::Fitting model to feature number 349, F365
## 2024-04-30 20:48:48.149357 INFO::Fitting model to feature number 350, F366
## 2024-04-30 20:48:48.153136 INFO::Fitting model to feature number 351, F367
## 2024-04-30 20:48:48.156768 INFO::Fitting model to feature number 352, F368
## 2024-04-30 20:48:48.160322 INFO::Fitting model to feature number 353, F369
## 2024-04-30 20:48:48.163857 INFO::Fitting model to feature number 354, F370
## 2024-04-30 20:48:48.167319 INFO::Fitting model to feature number 355, F371
## 2024-04-30 20:48:48.170768 INFO::Fitting model to feature number 356, F372
## 2024-04-30 20:48:48.174466 INFO::Fitting model to feature number 357, F373
## 2024-04-30 20:48:48.177946 INFO::Fitting model to feature number 358, F374
## 2024-04-30 20:48:48.181438 INFO::Fitting model to feature number 359, F375
## 2024-04-30 20:48:48.184956 INFO::Fitting model to feature number 360, F376
## 2024-04-30 20:48:48.188448 INFO::Fitting model to feature number 361, F377
## 2024-04-30 20:48:48.191923 INFO::Fitting model to feature number 362, F378
## 2024-04-30 20:48:48.195505 INFO::Fitting model to feature number 363, F379
## 2024-04-30 20:48:48.198957 INFO::Fitting model to feature number 364, F380
## 2024-04-30 20:48:48.20245 INFO::Fitting model to feature number 365, F381
## 2024-04-30 20:48:48.205929 INFO::Fitting model to feature number 366, F382
## 2024-04-30 20:48:48.209394 INFO::Fitting model to feature number 367, F383
## 2024-04-30 20:48:48.212868 INFO::Fitting model to feature number 368, F384
## 2024-04-30 20:48:48.216368 INFO::Fitting model to feature number 369, F386
## 2024-04-30 20:48:48.219842 INFO::Fitting model to feature number 370, F387
## 2024-04-30 20:48:48.223336 INFO::Fitting model to feature number 371, F388
## 2024-04-30 20:48:48.226884 INFO::Fitting model to feature number 372, F389
## 2024-04-30 20:48:48.230427 INFO::Fitting model to feature number 373, F390
## 2024-04-30 20:48:48.233948 INFO::Fitting model to feature number 374, F391
## 2024-04-30 20:48:48.237456 INFO::Fitting model to feature number 375, F392
## 2024-04-30 20:48:48.241055 INFO::Fitting model to feature number 376, F393
## 2024-04-30 20:48:48.244607 INFO::Fitting model to feature number 377, F394
## 2024-04-30 20:48:48.248147 INFO::Fitting model to feature number 378, F395
## 2024-04-30 20:48:48.251676 INFO::Fitting model to feature number 379, F396
## 2024-04-30 20:48:48.255211 INFO::Fitting model to feature number 380, F397
## 2024-04-30 20:48:48.258823 INFO::Fitting model to feature number 381, F398
## 2024-04-30 20:48:48.262373 INFO::Fitting model to feature number 382, F399
## 2024-04-30 20:48:48.265926 INFO::Fitting model to feature number 383, F400
## 2024-04-30 20:48:48.269456 INFO::Fitting model to feature number 384, F401
## 2024-04-30 20:48:48.273098 INFO::Fitting model to feature number 385, F402
## 2024-04-30 20:48:48.276865 INFO::Fitting model to feature number 386, F403
## 2024-04-30 20:48:48.28054 INFO::Fitting model to feature number 387, F404
## 2024-04-30 20:48:48.284088 INFO::Fitting model to feature number 388, F406
## 2024-04-30 20:48:48.287576 INFO::Fitting model to feature number 389, F407
## 2024-04-30 20:48:48.291108 INFO::Fitting model to feature number 390, F408
## 2024-04-30 20:48:48.294636 INFO::Fitting model to feature number 391, F409
## 2024-04-30 20:48:48.298243 INFO::Fitting model to feature number 392, F410
## 2024-04-30 20:48:48.301812 INFO::Fitting model to feature number 393, F411
## 2024-04-30 20:48:48.30536 INFO::Fitting model to feature number 394, F412
## 2024-04-30 20:48:48.308883 INFO::Fitting model to feature number 395, F413
## 2024-04-30 20:48:48.312433 INFO::Fitting model to feature number 396, F414
## 2024-04-30 20:48:48.316016 INFO::Fitting model to feature number 397, F415
## 2024-04-30 20:48:48.319562 INFO::Fitting model to feature number 398, F416
## 2024-04-30 20:48:48.323128 INFO::Fitting model to feature number 399, F417
## 2024-04-30 20:48:48.326877 INFO::Fitting model to feature number 400, F418
## 2024-04-30 20:48:48.3307 INFO::Fitting model to feature number 401, F419
## 2024-04-30 20:48:48.334418 INFO::Fitting model to feature number 402, F420
## 2024-04-30 20:48:48.338096 INFO::Fitting model to feature number 403, F421
## 2024-04-30 20:48:48.341897 INFO::Fitting model to feature number 404, F422
## 2024-04-30 20:48:48.345664 INFO::Fitting model to feature number 405, F423
## 2024-04-30 20:48:48.349424 INFO::Fitting model to feature number 406, F425
## 2024-04-30 20:48:48.353311 INFO::Fitting model to feature number 407, F426
## 2024-04-30 20:48:48.357054 INFO::Fitting model to feature number 408, F428
## 2024-04-30 20:48:48.360843 INFO::Fitting model to feature number 409, F429
## 2024-04-30 20:48:48.364515 INFO::Fitting model to feature number 410, F430
## 2024-04-30 20:48:48.368231 INFO::Fitting model to feature number 411, F431
## 2024-04-30 20:48:48.372076 INFO::Fitting model to feature number 412, F432
## 2024-04-30 20:48:48.375748 INFO::Fitting model to feature number 413, F433
## 2024-04-30 20:48:48.379591 INFO::Fitting model to feature number 414, F434
## 2024-04-30 20:48:48.383341 INFO::Fitting model to feature number 415, F435
## 2024-04-30 20:48:48.387026 INFO::Fitting model to feature number 416, F436
## 2024-04-30 20:48:48.390687 INFO::Fitting model to feature number 417, F437
## 2024-04-30 20:48:48.394329 INFO::Fitting model to feature number 418, F438
## 2024-04-30 20:48:48.397901 INFO::Fitting model to feature number 419, F439
## 2024-04-30 20:48:48.401521 INFO::Fitting model to feature number 420, F440
## 2024-04-30 20:48:48.405127 INFO::Fitting model to feature number 421, F441
## 2024-04-30 20:48:48.408786 INFO::Fitting model to feature number 422, F442
## 2024-04-30 20:48:48.412541 INFO::Fitting model to feature number 423, F443
## 2024-04-30 20:48:48.41631 INFO::Fitting model to feature number 424, F444
## 2024-04-30 20:48:48.420133 INFO::Fitting model to feature number 425, F445
## 2024-04-30 20:48:48.423987 INFO::Fitting model to feature number 426, F446
## 2024-04-30 20:48:48.427668 INFO::Fitting model to feature number 427, F447
## 2024-04-30 20:48:48.431351 INFO::Fitting model to feature number 428, F448
## 2024-04-30 20:48:48.435033 INFO::Fitting model to feature number 429, F449
## 2024-04-30 20:48:48.438669 INFO::Fitting model to feature number 430, F450
## 2024-04-30 20:48:48.442332 INFO::Fitting model to feature number 431, F451
## 2024-04-30 20:48:48.445957 INFO::Fitting model to feature number 432, F452
## 2024-04-30 20:48:48.449618 INFO::Fitting model to feature number 433, F454
## 2024-04-30 20:48:48.45336 INFO::Fitting model to feature number 434, F455
## 2024-04-30 20:48:48.457192 INFO::Fitting model to feature number 435, F456
## 2024-04-30 20:48:48.461022 INFO::Fitting model to feature number 436, F457
## 2024-04-30 20:48:48.46476 INFO::Fitting model to feature number 437, F458
## 2024-04-30 20:48:48.468421 INFO::Fitting model to feature number 438, F459
## 2024-04-30 20:48:48.472213 INFO::Fitting model to feature number 439, F461
## 2024-04-30 20:48:48.475942 INFO::Fitting model to feature number 440, F462
## 2024-04-30 20:48:48.479772 INFO::Fitting model to feature number 441, F463
## 2024-04-30 20:48:48.483606 INFO::Fitting model to feature number 442, F464
## 2024-04-30 20:48:48.48739 INFO::Fitting model to feature number 443, F465
## 2024-04-30 20:48:48.491164 INFO::Fitting model to feature number 444, F466
## 2024-04-30 20:48:48.49487 INFO::Fitting model to feature number 445, F467
## 2024-04-30 20:48:48.498709 INFO::Fitting model to feature number 446, F468
## 2024-04-30 20:48:48.502469 INFO::Fitting model to feature number 447, F469
## 2024-04-30 20:48:48.506316 INFO::Fitting model to feature number 448, F470
## 2024-04-30 20:48:48.510106 INFO::Fitting model to feature number 449, F471
## 2024-04-30 20:48:48.514024 INFO::Fitting model to feature number 450, F474
## 2024-04-30 20:48:48.517735 INFO::Fitting model to feature number 451, F475
## 2024-04-30 20:48:48.521237 INFO::Fitting model to feature number 452, F476
## 2024-04-30 20:48:48.524652 INFO::Fitting model to feature number 453, F477
## 2024-04-30 20:48:48.528081 INFO::Fitting model to feature number 454, F478
## 2024-04-30 20:48:48.531553 INFO::Fitting model to feature number 455, F479
## 2024-04-30 20:48:48.535006 INFO::Fitting model to feature number 456, F480
## 2024-04-30 20:48:48.538471 INFO::Fitting model to feature number 457, F481
## 2024-04-30 20:48:48.542019 INFO::Fitting model to feature number 458, F482
## 2024-04-30 20:48:48.545487 INFO::Fitting model to feature number 459, F483
## 2024-04-30 20:48:48.549013 INFO::Fitting model to feature number 460, F484
## 2024-04-30 20:48:48.55249 INFO::Fitting model to feature number 461, F485
## 2024-04-30 20:48:48.556008 INFO::Fitting model to feature number 462, F486
## 2024-04-30 20:48:48.559494 INFO::Fitting model to feature number 463, F487
## 2024-04-30 20:48:48.562949 INFO::Fitting model to feature number 464, F488
## 2024-04-30 20:48:48.566444 INFO::Fitting model to feature number 465, F489
## 2024-04-30 20:48:48.570142 INFO::Fitting model to feature number 466, F490
## 2024-04-30 20:48:48.573674 INFO::Fitting model to feature number 467, F491
## 2024-04-30 20:48:48.577198 INFO::Fitting model to feature number 468, F492
## 2024-04-30 20:48:48.580857 INFO::Fitting model to feature number 469, F493
## 2024-04-30 20:48:48.584385 INFO::Fitting model to feature number 470, F494
## 2024-04-30 20:48:48.587868 INFO::Fitting model to feature number 471, F495
## 2024-04-30 20:48:48.591376 INFO::Fitting model to feature number 472, F496
## 2024-04-30 20:48:48.594855 INFO::Fitting model to feature number 473, F497
## 2024-04-30 20:48:48.598387 INFO::Fitting model to feature number 474, F498
## 2024-04-30 20:48:48.601878 INFO::Fitting model to feature number 475, F499
## 2024-04-30 20:48:48.605404 INFO::Fitting model to feature number 476, F500
## 2024-04-30 20:48:48.608892 INFO::Fitting model to feature number 477, F501
## 2024-04-30 20:48:48.612367 INFO::Fitting model to feature number 478, F502
## 2024-04-30 20:48:48.615894 INFO::Fitting model to feature number 479, F503
## 2024-04-30 20:48:48.619413 INFO::Fitting model to feature number 480, F504
## 2024-04-30 20:48:48.622973 INFO::Fitting model to feature number 481, F505
## 2024-04-30 20:48:48.626484 INFO::Fitting model to feature number 482, F506
## 2024-04-30 20:48:48.629994 INFO::Fitting model to feature number 483, F507
## 2024-04-30 20:48:48.633547 INFO::Fitting model to feature number 484, F508
## 2024-04-30 20:48:48.637077 INFO::Fitting model to feature number 485, F509
## 2024-04-30 20:48:48.640673 INFO::Fitting model to feature number 486, F510
## 2024-04-30 20:48:48.644202 INFO::Fitting model to feature number 487, F511
## 2024-04-30 20:48:48.647679 INFO::Fitting model to feature number 488, F512
## 2024-04-30 20:48:48.651185 INFO::Fitting model to feature number 489, F513
## 2024-04-30 20:48:48.654674 INFO::Fitting model to feature number 490, F514
## 2024-04-30 20:48:48.658351 INFO::Fitting model to feature number 491, F515
## 2024-04-30 20:48:48.661882 INFO::Fitting model to feature number 492, F516
## 2024-04-30 20:48:48.66541 INFO::Fitting model to feature number 493, F517
## 2024-04-30 20:48:48.668904 INFO::Fitting model to feature number 494, F518
## 2024-04-30 20:48:48.672388 INFO::Fitting model to feature number 495, F519
## 2024-04-30 20:48:48.677066 INFO::Fitting model to feature number 496, F520
## 2024-04-30 20:48:48.6809 INFO::Fitting model to feature number 497, F521
## 2024-04-30 20:48:48.6846 INFO::Fitting model to feature number 498, F522
## 2024-04-30 20:48:48.688242 INFO::Fitting model to feature number 499, F523
## 2024-04-30 20:48:48.691942 INFO::Fitting model to feature number 500, F524
## 2024-04-30 20:48:48.695498 INFO::Fitting model to feature number 501, F525
## 2024-04-30 20:48:48.699101 INFO::Fitting model to feature number 502, F526
## 2024-04-30 20:48:48.702894 INFO::Fitting model to feature number 503, F527
## 2024-04-30 20:48:48.706739 INFO::Fitting model to feature number 504, F528
## 2024-04-30 20:48:48.710516 INFO::Fitting model to feature number 505, F529
## 2024-04-30 20:48:48.714283 INFO::Fitting model to feature number 506, F530
## 2024-04-30 20:48:48.71806 INFO::Fitting model to feature number 507, F531
## 2024-04-30 20:48:48.721959 INFO::Fitting model to feature number 508, F532
## 2024-04-30 20:48:48.725703 INFO::Fitting model to feature number 509, F533
## 2024-04-30 20:48:48.729459 INFO::Fitting model to feature number 510, F534
## 2024-04-30 20:48:48.733133 INFO::Fitting model to feature number 511, F535
## 2024-04-30 20:48:48.736786 INFO::Fitting model to feature number 512, F536
## 2024-04-30 20:48:48.740574 INFO::Fitting model to feature number 513, F537
## 2024-04-30 20:48:48.744346 INFO::Fitting model to feature number 514, F539
## 2024-04-30 20:48:48.748149 INFO::Fitting model to feature number 515, F540
## 2024-04-30 20:48:48.751992 INFO::Fitting model to feature number 516, F541
## 2024-04-30 20:48:48.755778 INFO::Fitting model to feature number 517, F543
## 2024-04-30 20:48:48.759574 INFO::Fitting model to feature number 518, F544
## 2024-04-30 20:48:48.763342 INFO::Fitting model to feature number 519, F545
## 2024-04-30 20:48:48.767081 INFO::Fitting model to feature number 520, F546
## 2024-04-30 20:48:48.771138 INFO::Fitting model to feature number 521, F547
## 2024-04-30 20:48:48.774966 INFO::Fitting model to feature number 522, F548
## 2024-04-30 20:48:48.778824 INFO::Fitting model to feature number 523, F549
## 2024-04-30 20:48:48.782557 INFO::Fitting model to feature number 524, F550
## 2024-04-30 20:48:48.786329 INFO::Fitting model to feature number 525, F551
## 2024-04-30 20:48:48.790096 INFO::Fitting model to feature number 526, F552
## 2024-04-30 20:48:48.793876 INFO::Fitting model to feature number 527, F553
## 2024-04-30 20:48:48.797599 INFO::Fitting model to feature number 528, F554
## 2024-04-30 20:48:48.801395 INFO::Fitting model to feature number 529, F555
## 2024-04-30 20:48:48.80517 INFO::Fitting model to feature number 530, F556
## 2024-04-30 20:48:48.808903 INFO::Fitting model to feature number 531, F557
## 2024-04-30 20:48:48.812845 INFO::Fitting model to feature number 532, F558
## 2024-04-30 20:48:48.816615 INFO::Fitting model to feature number 533, F559
## 2024-04-30 20:48:48.820393 INFO::Fitting model to feature number 534, F560
## 2024-04-30 20:48:48.824169 INFO::Fitting model to feature number 535, F561
## 2024-04-30 20:48:48.828067 INFO::Fitting model to feature number 536, F562
## 2024-04-30 20:48:48.831816 INFO::Fitting model to feature number 537, F563
## 2024-04-30 20:48:48.835639 INFO::Fitting model to feature number 538, F564
## 2024-04-30 20:48:48.839422 INFO::Fitting model to feature number 539, F566
## 2024-04-30 20:48:48.843242 INFO::Fitting model to feature number 540, F567
## 2024-04-30 20:48:48.847154 INFO::Fitting model to feature number 541, F568
## 2024-04-30 20:48:48.850899 INFO::Fitting model to feature number 542, F569
## 2024-04-30 20:48:48.85457 INFO::Fitting model to feature number 543, F570
## 2024-04-30 20:48:48.858085 INFO::Fitting model to feature number 544, F571
## 2024-04-30 20:48:48.86164 INFO::Fitting model to feature number 545, F572
## 2024-04-30 20:48:48.865169 INFO::Fitting model to feature number 546, F573
## 2024-04-30 20:48:48.86873 INFO::Fitting model to feature number 547, F574
## 2024-04-30 20:48:48.872354 INFO::Fitting model to feature number 548, F575
## 2024-04-30 20:48:48.87605 INFO::Fitting model to feature number 549, F576
## 2024-04-30 20:48:48.880117 INFO::Fitting model to feature number 550, F577
## 2024-04-30 20:48:48.884401 INFO::Fitting model to feature number 551, F578
## 2024-04-30 20:48:48.934868 INFO::Fitting model to feature number 552, F579
## 2024-04-30 20:48:48.938608 INFO::Fitting model to feature number 553, F580
## 2024-04-30 20:48:48.942079 INFO::Fitting model to feature number 554, F581
## 2024-04-30 20:48:48.945554 INFO::Fitting model to feature number 555, F582
## 2024-04-30 20:48:48.949062 INFO::Fitting model to feature number 556, F583
## 2024-04-30 20:48:48.952528 INFO::Fitting model to feature number 557, F584
## 2024-04-30 20:48:48.955955 INFO::Fitting model to feature number 558, F585
## 2024-04-30 20:48:48.95937 INFO::Fitting model to feature number 559, F586
## 2024-04-30 20:48:48.962752 INFO::Fitting model to feature number 560, F587
## 2024-04-30 20:48:48.966161 INFO::Fitting model to feature number 561, F588
## 2024-04-30 20:48:48.969512 INFO::Fitting model to feature number 562, F589
## 2024-04-30 20:48:48.973125 INFO::Fitting model to feature number 563, F590
## 2024-04-30 20:48:48.976754 INFO::Fitting model to feature number 564, F591
## 2024-04-30 20:48:48.980364 INFO::Fitting model to feature number 565, F592
## 2024-04-30 20:48:48.984022 INFO::Fitting model to feature number 566, F593
## 2024-04-30 20:48:48.987722 INFO::Fitting model to feature number 567, F594
## 2024-04-30 20:48:48.991577 INFO::Fitting model to feature number 568, F595
## 2024-04-30 20:48:48.995373 INFO::Fitting model to feature number 569, F596
## 2024-04-30 20:48:48.999119 INFO::Fitting model to feature number 570, F597
## 2024-04-30 20:48:49.002877 INFO::Fitting model to feature number 571, F598
## 2024-04-30 20:48:49.006404 INFO::Fitting model to feature number 572, F599
## 2024-04-30 20:48:49.010081 INFO::Fitting model to feature number 573, F600
## 2024-04-30 20:48:49.013894 INFO::Fitting model to feature number 574, F601
## 2024-04-30 20:48:49.017712 INFO::Fitting model to feature number 575, F602
## 2024-04-30 20:48:49.021568 INFO::Fitting model to feature number 576, F603
## 2024-04-30 20:48:49.025322 INFO::Fitting model to feature number 577, F605
## 2024-04-30 20:48:49.02902 INFO::Fitting model to feature number 578, F606
## 2024-04-30 20:48:49.03273 INFO::Fitting model to feature number 579, F607
## 2024-04-30 20:48:49.036556 INFO::Fitting model to feature number 580, F608
## 2024-04-30 20:48:49.040602 INFO::Fitting model to feature number 581, F609
## 2024-04-30 20:48:49.044524 INFO::Fitting model to feature number 582, F610
## 2024-04-30 20:48:49.048359 INFO::Fitting model to feature number 583, F611
## 2024-04-30 20:48:49.05204 INFO::Fitting model to feature number 584, F612
## 2024-04-30 20:48:49.055844 INFO::Fitting model to feature number 585, F613
## 2024-04-30 20:48:49.05962 INFO::Fitting model to feature number 586, F614
## 2024-04-30 20:48:49.063442 INFO::Fitting model to feature number 587, F615
## 2024-04-30 20:48:49.067387 INFO::Fitting model to feature number 588, F616
## 2024-04-30 20:48:49.071242 INFO::Fitting model to feature number 589, F617
## 2024-04-30 20:48:49.074991 INFO::Fitting model to feature number 590, F618
## 2024-04-30 20:48:49.078837 INFO::Fitting model to feature number 591, F619
## 2024-04-30 20:48:49.082771 INFO::Fitting model to feature number 592, F620
## 2024-04-30 20:48:49.086697 INFO::Fitting model to feature number 593, F621
## 2024-04-30 20:48:49.090671 INFO::Fitting model to feature number 594, F622
## 2024-04-30 20:48:49.094702 INFO::Fitting model to feature number 595, F623
## 2024-04-30 20:48:49.09867 INFO::Fitting model to feature number 596, F624
## 2024-04-30 20:48:49.102664 INFO::Fitting model to feature number 597, F625
## 2024-04-30 20:48:49.106726 INFO::Fitting model to feature number 598, F626
## 2024-04-30 20:48:49.110896 INFO::Fitting model to feature number 599, F627
## 2024-04-30 20:48:49.114853 INFO::Fitting model to feature number 600, F628
## 2024-04-30 20:48:49.118557 INFO::Fitting model to feature number 601, F629
## 2024-04-30 20:48:49.122221 INFO::Fitting model to feature number 602, F630
## 2024-04-30 20:48:49.125949 INFO::Fitting model to feature number 603, F631
## 2024-04-30 20:48:49.129639 INFO::Fitting model to feature number 604, F632
## 2024-04-30 20:48:49.133453 INFO::Fitting model to feature number 605, F633
## 2024-04-30 20:48:49.137631 INFO::Fitting model to feature number 606, F634
## 2024-04-30 20:48:49.141623 INFO::Fitting model to feature number 607, F635
## 2024-04-30 20:48:49.145594 INFO::Fitting model to feature number 608, F636
## 2024-04-30 20:48:49.149461 INFO::Fitting model to feature number 609, F637
## 2024-04-30 20:48:49.153187 INFO::Fitting model to feature number 610, F638
## 2024-04-30 20:48:49.157041 INFO::Fitting model to feature number 611, F639
## 2024-04-30 20:48:49.160971 INFO::Fitting model to feature number 612, F640
## 2024-04-30 20:48:49.165758 INFO::Fitting model to feature number 613, F641
## 2024-04-30 20:48:49.170393 INFO::Fitting model to feature number 614, F642
## 2024-04-30 20:48:49.174612 INFO::Fitting model to feature number 615, F643
## 2024-04-30 20:48:49.178639 INFO::Fitting model to feature number 616, F644
## 2024-04-30 20:48:49.18265 INFO::Fitting model to feature number 617, F645
## 2024-04-30 20:48:49.186564 INFO::Fitting model to feature number 618, F646
## 2024-04-30 20:48:49.190803 INFO::Fitting model to feature number 619, F647
## 2024-04-30 20:48:49.195009 INFO::Fitting model to feature number 620, F648
## 2024-04-30 20:48:49.199181 INFO::Fitting model to feature number 621, F649
## 2024-04-30 20:48:49.20407 INFO::Fitting model to feature number 622, F650
## 2024-04-30 20:48:49.209347 INFO::Fitting model to feature number 623, F651
## 2024-04-30 20:48:49.214393 INFO::Fitting model to feature number 624, F652
## 2024-04-30 20:48:49.218997 INFO::Fitting model to feature number 625, F653
## 2024-04-30 20:48:49.223398 INFO::Fitting model to feature number 626, F654
## 2024-04-30 20:48:49.227597 INFO::Fitting model to feature number 627, F655
## 2024-04-30 20:48:49.231781 INFO::Fitting model to feature number 628, F656
## 2024-04-30 20:48:49.235902 INFO::Fitting model to feature number 629, F657
## 2024-04-30 20:48:49.240265 INFO::Fitting model to feature number 630, F658
## 2024-04-30 20:48:49.244492 INFO::Fitting model to feature number 631, F659
## 2024-04-30 20:48:49.24858 INFO::Fitting model to feature number 632, F660
## 2024-04-30 20:48:49.252608 INFO::Fitting model to feature number 633, F661
## 2024-04-30 20:48:49.256678 INFO::Fitting model to feature number 634, F662
## 2024-04-30 20:48:49.260939 INFO::Fitting model to feature number 635, F663
## 2024-04-30 20:48:49.265026 INFO::Fitting model to feature number 636, F664
## 2024-04-30 20:48:49.269024 INFO::Fitting model to feature number 637, F665
## 2024-04-30 20:48:49.273117 INFO::Fitting model to feature number 638, F666
## 2024-04-30 20:48:49.277398 INFO::Fitting model to feature number 639, F667
## 2024-04-30 20:48:49.281476 INFO::Fitting model to feature number 640, F668
## 2024-04-30 20:48:49.285531 INFO::Fitting model to feature number 641, F669
## 2024-04-30 20:48:49.289587 INFO::Fitting model to feature number 642, F670
## 2024-04-30 20:48:49.293697 INFO::Fitting model to feature number 643, F671
## 2024-04-30 20:48:49.297682 INFO::Fitting model to feature number 644, F672
## 2024-04-30 20:48:49.301691 INFO::Fitting model to feature number 645, F673
## 2024-04-30 20:48:49.305627 INFO::Fitting model to feature number 646, F674
## 2024-04-30 20:48:49.30962 INFO::Fitting model to feature number 647, F675
## 2024-04-30 20:48:49.313658 INFO::Fitting model to feature number 648, F676
## 2024-04-30 20:48:49.317662 INFO::Fitting model to feature number 649, F677
## 2024-04-30 20:48:49.32158 INFO::Fitting model to feature number 650, F678
## 2024-04-30 20:48:49.325524 INFO::Fitting model to feature number 651, F679
## 2024-04-30 20:48:49.329574 INFO::Fitting model to feature number 652, F680
## 2024-04-30 20:48:49.333577 INFO::Fitting model to feature number 653, F681
## 2024-04-30 20:48:49.337562 INFO::Fitting model to feature number 654, F682
## 2024-04-30 20:48:49.341647 INFO::Fitting model to feature number 655, F683
## 2024-04-30 20:48:49.345807 INFO::Fitting model to feature number 656, F684
## 2024-04-30 20:48:49.34994 INFO::Fitting model to feature number 657, F685
## 2024-04-30 20:48:49.353872 INFO::Fitting model to feature number 658, F686
## 2024-04-30 20:48:49.357829 INFO::Fitting model to feature number 659, F687
## 2024-04-30 20:48:49.361914 INFO::Fitting model to feature number 660, F688
## 2024-04-30 20:48:49.366114 INFO::Fitting model to feature number 661, F689
## 2024-04-30 20:48:49.370173 INFO::Fitting model to feature number 662, F690
## 2024-04-30 20:48:49.374185 INFO::Fitting model to feature number 663, F691
## 2024-04-30 20:48:49.378163 INFO::Fitting model to feature number 664, F692
## 2024-04-30 20:48:49.382174 INFO::Fitting model to feature number 665, F693
## 2024-04-30 20:48:49.386261 INFO::Fitting model to feature number 666, F694
## 2024-04-30 20:48:49.390244 INFO::Fitting model to feature number 667, F695
## 2024-04-30 20:48:49.394191 INFO::Fitting model to feature number 668, F696
## 2024-04-30 20:48:49.397986 INFO::Fitting model to feature number 669, F697
## 2024-04-30 20:48:49.401791 INFO::Fitting model to feature number 670, F698
## 2024-04-30 20:48:49.405664 INFO::Fitting model to feature number 671, F699
## 2024-04-30 20:48:49.409678 INFO::Fitting model to feature number 672, F700
## 2024-04-30 20:48:49.413532 INFO::Fitting model to feature number 673, F701
## 2024-04-30 20:48:49.417483 INFO::Fitting model to feature number 674, F702
## 2024-04-30 20:48:49.421534 INFO::Fitting model to feature number 675, F704
## 2024-04-30 20:48:49.425679 INFO::Fitting model to feature number 676, F705
## 2024-04-30 20:48:49.42975 INFO::Fitting model to feature number 677, F706
## 2024-04-30 20:48:49.433774 INFO::Fitting model to feature number 678, F707
## 2024-04-30 20:48:49.437818 INFO::Fitting model to feature number 679, F708
## 2024-04-30 20:48:49.442062 INFO::Fitting model to feature number 680, F709
## 2024-04-30 20:48:49.446224 INFO::Fitting model to feature number 681, F710
## 2024-04-30 20:48:49.450421 INFO::Fitting model to feature number 682, F711
## 2024-04-30 20:48:49.454467 INFO::Fitting model to feature number 683, F712
## 2024-04-30 20:48:49.458544 INFO::Fitting model to feature number 684, F713
## 2024-04-30 20:48:49.462837 INFO::Fitting model to feature number 685, F714
## 2024-04-30 20:48:49.466902 INFO::Fitting model to feature number 686, F715
## 2024-04-30 20:48:49.470884 INFO::Fitting model to feature number 687, F716
## 2024-04-30 20:48:49.474934 INFO::Fitting model to feature number 688, F717
## 2024-04-30 20:48:49.479505 INFO::Fitting model to feature number 689, F718
## 2024-04-30 20:48:49.483796 INFO::Fitting model to feature number 690, F719
## 2024-04-30 20:48:49.487791 INFO::Fitting model to feature number 691, F720
## 2024-04-30 20:48:49.491842 INFO::Fitting model to feature number 692, F721
## 2024-04-30 20:48:49.49605 INFO::Fitting model to feature number 693, F722
## 2024-04-30 20:48:49.500159 INFO::Fitting model to feature number 694, F723
## 2024-04-30 20:48:49.504167 INFO::Fitting model to feature number 695, F724
## 2024-04-30 20:48:49.508233 INFO::Fitting model to feature number 696, F725
## 2024-04-30 20:48:49.512293 INFO::Fitting model to feature number 697, F726
## 2024-04-30 20:48:49.516475 INFO::Fitting model to feature number 698, F727
## 2024-04-30 20:48:49.520515 INFO::Fitting model to feature number 699, F728
## 2024-04-30 20:48:49.524588 INFO::Fitting model to feature number 700, F729
## 2024-04-30 20:48:49.52856 INFO::Fitting model to feature number 701, F730
## 2024-04-30 20:48:49.532568 INFO::Fitting model to feature number 702, F731
## 2024-04-30 20:48:49.536605 INFO::Fitting model to feature number 703, F732
## 2024-04-30 20:48:49.540502 INFO::Fitting model to feature number 704, F733
## 2024-04-30 20:48:49.544415 INFO::Fitting model to feature number 705, F734
## 2024-04-30 20:48:49.548584 INFO::Fitting model to feature number 706, F735
## 2024-04-30 20:48:49.552726 INFO::Fitting model to feature number 707, F736
## 2024-04-30 20:48:49.556693 INFO::Fitting model to feature number 708, F737
## 2024-04-30 20:48:49.560827 INFO::Fitting model to feature number 709, F739
## 2024-04-30 20:48:49.564976 INFO::Fitting model to feature number 710, F740
## 2024-04-30 20:48:49.569031 INFO::Fitting model to feature number 711, F741
## 2024-04-30 20:48:49.573027 INFO::Fitting model to feature number 712, F742
## 2024-04-30 20:48:49.577044 INFO::Fitting model to feature number 713, F743
## 2024-04-30 20:48:49.581112 INFO::Fitting model to feature number 714, F744
## 2024-04-30 20:48:49.5852 INFO::Fitting model to feature number 715, F745
## 2024-04-30 20:48:49.589268 INFO::Fitting model to feature number 716, F746
## 2024-04-30 20:48:49.593212 INFO::Fitting model to feature number 717, F747
## 2024-04-30 20:48:49.597148 INFO::Fitting model to feature number 718, F748
## 2024-04-30 20:48:49.601011 INFO::Fitting model to feature number 719, F749
## 2024-04-30 20:48:49.604729 INFO::Fitting model to feature number 720, F750
## 2024-04-30 20:48:49.608393 INFO::Fitting model to feature number 721, F751
## 2024-04-30 20:48:49.612076 INFO::Fitting model to feature number 722, F752
## 2024-04-30 20:48:49.615993 INFO::Fitting model to feature number 723, F753
## 2024-04-30 20:48:49.61998 INFO::Fitting model to feature number 724, F754
## 2024-04-30 20:48:49.624153 INFO::Fitting model to feature number 725, F755
## 2024-04-30 20:48:49.628248 INFO::Fitting model to feature number 726, F756
## 2024-04-30 20:48:49.632172 INFO::Fitting model to feature number 727, F757
## 2024-04-30 20:48:49.636126 INFO::Fitting model to feature number 728, F758
## 2024-04-30 20:48:49.640217 INFO::Fitting model to feature number 729, F759
## 2024-04-30 20:48:49.644242 INFO::Fitting model to feature number 730, F760
## 2024-04-30 20:48:49.648282 INFO::Fitting model to feature number 731, F761
## 2024-04-30 20:48:49.652208 INFO::Fitting model to feature number 732, F762
## 2024-04-30 20:48:49.656204 INFO::Fitting model to feature number 733, F763
## 2024-04-30 20:48:49.660222 INFO::Fitting model to feature number 734, F764
## 2024-04-30 20:48:49.664198 INFO::Fitting model to feature number 735, F765
## 2024-04-30 20:48:49.668129 INFO::Fitting model to feature number 736, F766
## 2024-04-30 20:48:49.672067 INFO::Fitting model to feature number 737, F767
## 2024-04-30 20:48:49.676171 INFO::Fitting model to feature number 738, F768
## 2024-04-30 20:48:49.680174 INFO::Fitting model to feature number 739, F769
## 2024-04-30 20:48:49.684271 INFO::Fitting model to feature number 740, F770
## 2024-04-30 20:48:49.688191 INFO::Fitting model to feature number 741, F771
## 2024-04-30 20:48:49.69223 INFO::Fitting model to feature number 742, F772
## 2024-04-30 20:48:49.696238 INFO::Fitting model to feature number 743, F773
## 2024-04-30 20:48:49.700211 INFO::Fitting model to feature number 744, F774
## 2024-04-30 20:48:49.704149 INFO::Fitting model to feature number 745, F775
## 2024-04-30 20:48:49.7082 INFO::Fitting model to feature number 746, F776
## 2024-04-30 20:48:49.712331 INFO::Fitting model to feature number 747, F777
## 2024-04-30 20:48:49.716405 INFO::Fitting model to feature number 748, F778
## 2024-04-30 20:48:49.720288 INFO::Fitting model to feature number 749, F779
## 2024-04-30 20:48:49.724396 INFO::Fitting model to feature number 750, F780
## 2024-04-30 20:48:49.728421 INFO::Fitting model to feature number 751, F781
## 2024-04-30 20:48:49.732409 INFO::Fitting model to feature number 752, F782
## 2024-04-30 20:48:49.736267 INFO::Fitting model to feature number 753, F783
## 2024-04-30 20:48:49.740177 INFO::Fitting model to feature number 754, F784
## 2024-04-30 20:48:49.744322 INFO::Fitting model to feature number 755, F785
## 2024-04-30 20:48:49.74834 INFO::Fitting model to feature number 756, F786
## 2024-04-30 20:48:49.752254 INFO::Fitting model to feature number 757, F787
## 2024-04-30 20:48:49.756424 INFO::Fitting model to feature number 758, F788
## 2024-04-30 20:48:49.760617 INFO::Fitting model to feature number 759, F789
## 2024-04-30 20:48:49.764616 INFO::Fitting model to feature number 760, F790
## 2024-04-30 20:48:49.768541 INFO::Fitting model to feature number 761, F791
## 2024-04-30 20:48:49.772471 INFO::Fitting model to feature number 762, F792
## 2024-04-30 20:48:49.776443 INFO::Fitting model to feature number 763, F793
## 2024-04-30 20:48:49.780455 INFO::Fitting model to feature number 764, F794
## 2024-04-30 20:48:49.78441 INFO::Fitting model to feature number 765, F795
## 2024-04-30 20:48:49.788363 INFO::Fitting model to feature number 766, F796
## 2024-04-30 20:48:49.792247 INFO::Fitting model to feature number 767, F797
## 2024-04-30 20:48:49.795993 INFO::Fitting model to feature number 768, F798
## 2024-04-30 20:48:49.799596 INFO::Fitting model to feature number 769, F799
## 2024-04-30 20:48:49.803273 INFO::Fitting model to feature number 770, F800
## 2024-04-30 20:48:49.806918 INFO::Fitting model to feature number 771, F801
## 2024-04-30 20:48:49.810636 INFO::Fitting model to feature number 772, F802
## 2024-04-30 20:48:49.814545 INFO::Fitting model to feature number 773, F803
## 2024-04-30 20:48:49.818595 INFO::Fitting model to feature number 774, F804
## 2024-04-30 20:48:49.822582 INFO::Fitting model to feature number 775, F805
## 2024-04-30 20:48:49.826478 INFO::Fitting model to feature number 776, F806
## 2024-04-30 20:48:49.830362 INFO::Fitting model to feature number 777, F808
## 2024-04-30 20:48:49.834404 INFO::Fitting model to feature number 778, F809
## 2024-04-30 20:48:49.838337 INFO::Fitting model to feature number 779, F810
## 2024-04-30 20:48:49.842267 INFO::Fitting model to feature number 780, F811
## 2024-04-30 20:48:49.846087 INFO::Fitting model to feature number 781, F812
## 2024-04-30 20:48:49.850033 INFO::Fitting model to feature number 782, F813
## 2024-04-30 20:48:49.854265 INFO::Fitting model to feature number 783, F814
## 2024-04-30 20:48:49.858209 INFO::Fitting model to feature number 784, F815
## 2024-04-30 20:48:49.862049 INFO::Fitting model to feature number 785, F816
## 2024-04-30 20:48:49.86587 INFO::Fitting model to feature number 786, F817
## 2024-04-30 20:48:49.869831 INFO::Fitting model to feature number 787, F818
## 2024-04-30 20:48:49.873747 INFO::Fitting model to feature number 788, F819
## 2024-04-30 20:48:49.877616 INFO::Fitting model to feature number 789, F820
## 2024-04-30 20:48:49.881485 INFO::Fitting model to feature number 790, F821
## 2024-04-30 20:48:49.885366 INFO::Fitting model to feature number 791, F822
## 2024-04-30 20:48:49.889335 INFO::Fitting model to feature number 792, F823
## 2024-04-30 20:48:49.893233 INFO::Fitting model to feature number 793, F824
## 2024-04-30 20:48:49.897249 INFO::Fitting model to feature number 794, F825
## 2024-04-30 20:48:49.901102 INFO::Fitting model to feature number 795, F826
## 2024-04-30 20:48:49.905041 INFO::Fitting model to feature number 796, F827
## 2024-04-30 20:48:49.908997 INFO::Fitting model to feature number 797, F828
## 2024-04-30 20:48:49.912948 INFO::Fitting model to feature number 798, F829
## 2024-04-30 20:48:49.916803 INFO::Fitting model to feature number 799, F830
## 2024-04-30 20:48:49.920706 INFO::Fitting model to feature number 800, F831
## 2024-04-30 20:48:49.924647 INFO::Fitting model to feature number 801, F832
## 2024-04-30 20:48:49.928586 INFO::Fitting model to feature number 802, F833
## 2024-04-30 20:48:49.932368 INFO::Fitting model to feature number 803, F834
## 2024-04-30 20:48:49.936252 INFO::Fitting model to feature number 804, F835
## 2024-04-30 20:48:49.940301 INFO::Fitting model to feature number 805, F836
## 2024-04-30 20:48:49.944256 INFO::Fitting model to feature number 806, F837
## 2024-04-30 20:48:49.948102 INFO::Fitting model to feature number 807, F838
## 2024-04-30 20:48:49.951983 INFO::Fitting model to feature number 808, F839
## 2024-04-30 20:48:49.955953 INFO::Fitting model to feature number 809, F840
## 2024-04-30 20:48:49.959868 INFO::Fitting model to feature number 810, F841
## 2024-04-30 20:48:49.96381 INFO::Fitting model to feature number 811, F842
## 2024-04-30 20:48:49.967687 INFO::Fitting model to feature number 812, F843
## 2024-04-30 20:48:49.971528 INFO::Fitting model to feature number 813, F844
## 2024-04-30 20:48:49.97549 INFO::Fitting model to feature number 814, F845
## 2024-04-30 20:48:49.979404 INFO::Fitting model to feature number 815, F846
## 2024-04-30 20:48:49.983277 INFO::Fitting model to feature number 816, F847
## 2024-04-30 20:48:49.986992 INFO::Fitting model to feature number 817, F848
## 2024-04-30 20:48:49.990644 INFO::Fitting model to feature number 818, F849
## 2024-04-30 20:48:49.994446 INFO::Fitting model to feature number 819, F850
## 2024-04-30 20:48:49.998407 INFO::Fitting model to feature number 820, F851
## 2024-04-30 20:48:50.002319 INFO::Fitting model to feature number 821, F852
## 2024-04-30 20:48:50.006191 INFO::Fitting model to feature number 822, F853
## 2024-04-30 20:48:50.010328 INFO::Fitting model to feature number 823, F854
## 2024-04-30 20:48:50.014378 INFO::Fitting model to feature number 824, F855
## 2024-04-30 20:48:50.018341 INFO::Fitting model to feature number 825, F856
## 2024-04-30 20:48:50.022298 INFO::Fitting model to feature number 826, F857
## 2024-04-30 20:48:50.026418 INFO::Fitting model to feature number 827, F858
## 2024-04-30 20:48:50.030465 INFO::Fitting model to feature number 828, F859
## 2024-04-30 20:48:50.03448 INFO::Fitting model to feature number 829, F860
## 2024-04-30 20:48:50.03844 INFO::Fitting model to feature number 830, F861
## 2024-04-30 20:48:50.042572 INFO::Fitting model to feature number 831, F862
## 2024-04-30 20:48:50.04665 INFO::Fitting model to feature number 832, F863
## 2024-04-30 20:48:50.050694 INFO::Fitting model to feature number 833, F864
## 2024-04-30 20:48:50.054665 INFO::Fitting model to feature number 834, F865
## 2024-04-30 20:48:50.058553 INFO::Fitting model to feature number 835, F866
## 2024-04-30 20:48:50.062708 INFO::Fitting model to feature number 836, F867
## 2024-04-30 20:48:50.06674 INFO::Fitting model to feature number 837, F868
## 2024-04-30 20:48:50.070736 INFO::Fitting model to feature number 838, F869
## 2024-04-30 20:48:50.074723 INFO::Fitting model to feature number 839, F870
## 2024-04-30 20:48:50.078887 INFO::Fitting model to feature number 840, F871
## 2024-04-30 20:48:50.082982 INFO::Fitting model to feature number 841, F872
## 2024-04-30 20:48:50.086945 INFO::Fitting model to feature number 842, F873
## 2024-04-30 20:48:50.090878 INFO::Fitting model to feature number 843, F874
## 2024-04-30 20:48:50.095006 INFO::Fitting model to feature number 844, F875
## 2024-04-30 20:48:50.099005 INFO::Fitting model to feature number 845, F876
## 2024-04-30 20:48:50.102991 INFO::Fitting model to feature number 846, F877
## 2024-04-30 20:48:50.10696 INFO::Fitting model to feature number 847, F878
## 2024-04-30 20:48:50.110961 INFO::Fitting model to feature number 848, F879
## 2024-04-30 20:48:50.115199 INFO::Fitting model to feature number 849, F880
## 2024-04-30 20:48:50.119191 INFO::Fitting model to feature number 850, F881
## 2024-04-30 20:48:50.123099 INFO::Fitting model to feature number 851, F882
## 2024-04-30 20:48:50.12705 INFO::Fitting model to feature number 852, F883
## 2024-04-30 20:48:50.131027 INFO::Fitting model to feature number 853, F884
## 2024-04-30 20:48:50.135043 INFO::Fitting model to feature number 854, F885
## 2024-04-30 20:48:50.138927 INFO::Fitting model to feature number 855, F886
## 2024-04-30 20:48:50.142739 INFO::Fitting model to feature number 856, F887
## 2024-04-30 20:48:50.146605 INFO::Fitting model to feature number 857, F888
## 2024-04-30 20:48:50.15053 INFO::Fitting model to feature number 858, F889
## 2024-04-30 20:48:50.154384 INFO::Fitting model to feature number 859, F890
## 2024-04-30 20:48:50.158189 INFO::Fitting model to feature number 860, F891
## 2024-04-30 20:48:50.162064 INFO::Fitting model to feature number 861, F892
## 2024-04-30 20:48:50.165989 INFO::Fitting model to feature number 862, F893
## 2024-04-30 20:48:50.16989 INFO::Fitting model to feature number 863, F894
## 2024-04-30 20:48:50.173769 INFO::Fitting model to feature number 864, F895
## 2024-04-30 20:48:50.177662 INFO::Fitting model to feature number 865, F896
## 2024-04-30 20:48:50.181519 INFO::Fitting model to feature number 866, F897
## 2024-04-30 20:48:50.185355 INFO::Fitting model to feature number 867, F898
## 2024-04-30 20:48:50.189191 INFO::Fitting model to feature number 868, F899
## 2024-04-30 20:48:50.19304 INFO::Fitting model to feature number 869, F900
## 2024-04-30 20:48:50.41395 INFO::Counting total values for each feature
## 2024-04-30 20:48:50.547436 INFO::Writing filtered data to file Macarron_output/maaslin2_results/features/filtered_data.tsv
## 2024-04-30 20:48:50.687038 INFO::Writing filtered, normalized data to file Macarron_output/maaslin2_results/features/filtered_data_norm.tsv
## 2024-04-30 20:48:50.829986 INFO::Writing filtered, normalized, transformed data to file Macarron_output/maaslin2_results/features/filtered_data_norm_transformed.tsv
## 2024-04-30 20:48:50.969833 INFO::Writing residuals to file Macarron_output/maaslin2_results/fits/residuals.rds
## 2024-04-30 20:48:51.040341 INFO::Writing fitted values to file Macarron_output/maaslin2_results/fits/fitted.rds
## 2024-04-30 20:48:51.097645 INFO::Writing all results to file (ordered by increasing q-values): Macarron_output/maaslin2_results/all_results.tsv
## 2024-04-30 20:48:51.124916 INFO::Writing the significant results (those which are less than or equal to the threshold of 0.250000 ) to file (ordered by increasing q-values): Macarron_output/maaslin2_results/significant_results.tsv
## 2024-04-30 20:48:51.137523 INFO::Writing heatmap of significant results to file: Macarron_output/maaslin2_results/heatmap.pdf
## Initiating effect size calculations
## Calculating mean abundance in: IBD
## Calculating mean abundance in: Control
## Calculating effect size in: IBD
## Initiating prioritization
## Calculating meta-rank and prioritizing metabolic features
## 2024-04-30 20:48:51.460656 INFO::Writing all prioritized metabolites to file: Macarron_output/prioritized_metabolites_all.csv
## 2024-04-30 20:48:51.474194 INFO::Writing characterizable prioritized metabolites to file: Macarron_output/prioritized_metabolites_characterizable.csv
## 2024-04-30 20:48:51.500363 INFO::Writing highly prioritized metabolites in IBD to file: Macarron_output/highly_prioritized_per_module_in_IBD.csv
abundances_df = read.csv(file = prism_abundances, row.names = 1) # setting features as rownames
annotations_df = read.csv(file = prism_annotations, row.names = 1) # setting features as rownames
metadata_df = read.csv(file = prism_metadata, row.names = 1) # setting samples as rownames
taxonomy_df = read.csv(file = mets_taxonomy)
# Running Macarron
prism_prioritized <- Macarron::Macarron(input_abundances = abundances_df,
input_annotations = annotations_df,
input_metadata = metadata_df,
input_taxonomy = taxonomy_df)
The Macarron::Macarron()
function is a wrapper for the Macarron framework. Users can also apply individual functions on the input dataframes to achieve same results as the wrapper with the added benefit of storing output from each function for other analyses. There are seven steps:
# Step 1: Storing input data in a summarized experiment object
prism_mbx <- prepInput(input_abundances = abundances_df,
input_annotations = annotations_df,
input_metadata = metadata_df)
# Step 2: Creating a distance matrix from pairwise correlations in abundances of metabolic features
prism_w <- makeDisMat(se = prism_mbx)
# Step 3: Finding covariance modules
prism_modules <- findMacMod(se = prism_mbx,
w = prism_w,
input_taxonomy = taxonomy_df)
# The output is a list containing two dataframes- module assignments and measures of success
# if evaluateMOS=TRUE. To write modules to a separate dataframe, do:
prism_module_assignments <- prism_modules[[1]]
prism_modules_mos <- prism_modules[[2]]
# Step 4: Calculating AVA
prism_ava <- calAVA(se = prism_mbx,
mod.assn = prism_modules)
# Step 5: Calculating q-value
prism_qval <- calQval(se = prism_mbx,
mod.assn = prism_modules)
# Step 6: Calculating effect size
prism_es <- calES(se = prism_mbx,
mac.qval = prism_qval)
# Step 7: Prioritizing metabolic features
prism_prioritized <- prioritize(se = prism_mbx,
mod.assn = prism_modules,
mac.ava = prism_ava,
mac.qval = prism_qval,
mac.es = prism_es)
# The output is a list containing two dataframes- all prioritized metabolic features and
# only characterizable metabolic features.
all_prioritized <- prism_prioritized[[1]]
char_prioritized <- prism_prioritized[[2]]
# Step 8 (optional): View only the highly prioritized metabolic features in each module
prism_highly_prioritized <- showBest(prism_prioritized)
Session info from running the demo in R can be displayed with the following command.
sessionInfo()
## R version 4.4.0 Patched (2024-04-24 r86482)
## Platform: aarch64-apple-darwin20
## Running under: macOS Ventura 13.6.6
##
## Matrix products: default
## BLAS: /Library/Frameworks/R.framework/Versions/4.4-arm64/Resources/lib/libRblas.0.dylib
## LAPACK: /Library/Frameworks/R.framework/Versions/4.4-arm64/Resources/lib/libRlapack.dylib; LAPACK version 3.12.0
##
## locale:
## [1] C/en_US.UTF-8/en_US.UTF-8/C/en_US.UTF-8/en_US.UTF-8
##
## time zone: America/New_York
## tzcode source: internal
##
## attached base packages:
## [1] stats4 stats graphics grDevices utils datasets methods
## [8] base
##
## other attached packages:
## [1] Macarron_1.7.0 SummarizedExperiment_1.33.3
## [3] Biobase_2.63.1 GenomicRanges_1.55.4
## [5] GenomeInfoDb_1.39.14 IRanges_2.37.1
## [7] S4Vectors_0.41.7 BiocGenerics_0.49.1
## [9] MatrixGenerics_1.15.1 matrixStats_1.3.0
## [11] BiocStyle_2.31.0
##
## loaded via a namespace (and not attached):
## [1] mnormt_2.1.1 DBI_1.2.2 pbapply_1.7-2
## [4] gridExtra_2.3 rlang_1.1.3 magrittr_2.0.3
## [7] compiler_4.4.0 RSQLite_2.3.6 png_0.1-8
## [10] vctrs_0.6.5 stringr_1.5.1 pkgconfig_2.0.3
## [13] crayon_1.5.2 fastmap_1.1.1 backports_1.4.1
## [16] XVector_0.43.1 utf8_1.2.4 rmarkdown_2.26
## [19] preprocessCore_1.65.0 UCSC.utils_0.99.7 bit_4.0.5
## [22] xfun_0.43 zlibbioc_1.49.3 cachem_1.0.8
## [25] jsonlite_1.8.8 blob_1.2.4 DelayedArray_0.29.9
## [28] BiocParallel_1.37.1 psych_2.4.3 Maaslin2_1.17.0
## [31] parallel_4.4.0 cluster_2.1.6 biglm_0.9-2.1
## [34] R6_2.5.1 RColorBrewer_1.1-3 stringi_1.8.3
## [37] bslib_0.7.0 rpart_4.1.23 jquerylib_0.1.4
## [40] Rcpp_1.0.12 bookdown_0.39 iterators_1.0.14
## [43] knitr_1.46 WGCNA_1.72-5 base64enc_0.1-3
## [46] Matrix_1.7-0 splines_4.4.0 nnet_7.3-19
## [49] tidyselect_1.2.1 rstudioapi_0.16.0 abind_1.4-5
## [52] yaml_2.3.8 doParallel_1.0.17 codetools_0.2-20
## [55] plyr_1.8.9 lattice_0.22-6 tibble_3.2.1
## [58] withr_3.0.0 KEGGREST_1.43.1 evaluate_0.23
## [61] foreign_0.8-86 survival_3.6-4 getopt_1.20.4
## [64] Biostrings_2.71.6 pillar_1.9.0 BiocManager_1.30.22
## [67] checkmate_2.3.1 foreach_1.5.2 pcaPP_2.0-4
## [70] generics_0.1.3 ggplot2_3.5.1 munsell_0.5.1
## [73] scales_1.3.0 glue_1.7.0 pheatmap_1.0.12
## [76] Hmisc_5.1-2 tools_4.4.0 robustbase_0.99-2
## [79] data.table_1.15.4 mvtnorm_1.2-4 fastcluster_1.2.6
## [82] grid_4.4.0 optparse_1.7.5 impute_1.77.0
## [85] AnnotationDbi_1.65.2 colorspace_2.1-0 nlme_3.1-164
## [88] GenomeInfoDbData_1.2.12 htmlTable_2.4.2 Formula_1.2-5
## [91] cli_3.6.2 fansi_1.0.6 S4Arrays_1.3.7
## [94] dplyr_1.1.4 DEoptimR_1.1-3 gtable_0.3.5
## [97] hash_2.2.6.3 logging_0.10-108 dynamicTreeCut_1.63-1
## [100] sass_0.4.9 digest_0.6.35 SparseArray_1.3.7
## [103] htmlwidgets_1.6.4 memoise_2.0.1 htmltools_0.5.8.1
## [106] lifecycle_1.0.4 httr_1.4.7 GO.db_3.19.1
## [109] bit64_4.0.5
The input taxonomy dataframe can be generated using the input metabolic features annotation dataframe using Macarron::decorateID()
. This function annotates an HMDB ID or a PubChem CID with the chemical class and subclass of the metabolite.
taxonomy_df <- decorateID(input_annotations = annotations_df)
write.csv(taxonomy_df, file="demo_taxonomy.csv", row.names = FALSE)
A record of all chosen parameters and steps that were followed during execution.
This file provides information about the properties of covariance modules used in the analysis. By default, modules are generated using a minimum module size (MMS) (argument: min_module_size
) equal to cube root of the total number of prevalent metabolic features. Macarron evaluates 9 measures of success (MOS) that collectively capture the “correctness” and chemical homogeneity of the modules. The MOS are as follows:
This folder contains the Maaslin2 log file (maaslin2.log), significant associations found by Maaslin2 (significant_results.tsv) and the linear model residuals file (residuals.rds). For more information, see Maaslin2.
Ideally, at least 50% metabolic features must be retained after prevalence filtering. By default, Macarron uses the union of metabolic features observed (non-zero abundance) in at least 70% samples of any phenotype for further analysis. This prevalence threshold may be high for some metabolomics datasets and can be changed using the min_prevalence
argument.
prism_prioritized <- Macarron::Macarron(input_abundances = abundances_df,
input_annotations = annotations_df,
input_metadata = metadata_df,
input_taxonomy = taxonomy_df,
min_prevalence = 0.5)
# or
prism_w <- makeDisMat(se = prism_mbx,
min_prevalence = 0.5)
By default, cube root of the total number of prevalent features is used as the minimum module size (MMS) (argument: min_module_size
) for module detection and generation. We expect this to work for most real world datasets. To determine if the modules are optimal for further analysis, Macarron evaluates several measures of success (MOS) as described above. In addition to evaluating MOS for modules generated using the default MMS, Macarron also evaluates MOS for MMS values that are larger (MMS+5, MMS+10) and smaller (MMS-5, MMS-10) than the default MMS. If you find that the MOS improve with larger or smaller MMS, you may change the default accordingly. For more details about module detection, please see WGCNA
and dynamicTreeCut
.
# See MOS of modules generated using default
prism_modules <- findMacMod(se = prism_mbx,
w = prism_w,
input_taxonomy = taxonomy_df)
prism_modules_mos <- prism_modules[[2]]
View(prism_modules_mos)
# Change MMS
prism_modules <- findMacMod(se = prism_mbx,
w = prism_w,
input_taxonomy = taxonomy_df,
min_module_size = 10)
Macarron uses Maaslin2 for determining the q-value of differential abundance in a phenotype of interest. For default execution, the phenotype of interest must be a category in column 1 of the metadata dataframe e.g. IBD in diagnosis in the demo. This is also the column that is picked by the metadata_variable
argument for identifying the main phenotypes/conditions in any dataset (see Macarron.log file). Further, in the default execution, all columns in the metadata table are considered as fixed effects and the alphabetically first categorical variable in each covariate with two categories is considered as the reference. Maaslin2 requires reference categories to be explicitly defined for all categorical metadata with more than two categories.
Defaults can be changed with the arguments fixed_effects
, random_effects
and reference
. In the demo example, fixed effects
and reference
can be defined as follows:
prism_qval <- calQval(se = prism_mbx,
mod.assn = prism_modules,
metadata_variable = "diagnosis",
fixed_effects = c("diagnosis","age","antibiotics"),
reference = c("diagnosis,Control";"antibiotics,No"))
The package source contains a script MacarronCMD.R
in inst/scripts
to invoke Macarron in the command line using Rscript.
The inst/scripts
folder also contains a README file that comprehensively documents the usage of the script.