
Case study data
Xiaotao Shen (https://www.shenxt.info/)
Created on 2022-03-07 and updated on 2022-03-21
case_study_data.Rmd
MS1 Raw data
The raw data of the case study (MS1, mzML format) is accessible on MetaboLights
with MTBLS1122 (HILIC positive), MTBLS1124 (HILIC negative), MTBLS1122 (RPLC positive) and MTBLS1130 (RPLC negative).
MS2 raw data
The raw data of the case study (MS2, mgf format) is accessible here.
Processed data
The processed data (“mass_dataset” class) from the massProcesser
package are available here.
Other data
You can also download all the other dataset which are necessary for reproducible analysis for case_study.
Session information
sessionInfo()
#> R version 4.1.2 (2021-11-01)
#> Platform: x86_64-apple-darwin17.0 (64-bit)
#> Running under: macOS Big Sur 10.16
#>
#> Matrix products: default
#> BLAS: /Library/Frameworks/R.framework/Versions/4.1/Resources/lib/libRblas.0.dylib
#> LAPACK: /Library/Frameworks/R.framework/Versions/4.1/Resources/lib/libRlapack.dylib
#>
#> locale:
#> [1] en_US.UTF-8/en_US.UTF-8/en_US.UTF-8/C/en_US.UTF-8/en_US.UTF-8
#>
#> attached base packages:
#> [1] stats graphics grDevices utils datasets methods base
#>
#> loaded via a namespace (and not attached):
#> [1] rstudioapi_0.13 knitr_1.37 magrittr_2.0.2 R6_2.5.1
#> [5] ragg_1.2.1 rlang_1.0.1 fastmap_1.1.0 stringr_1.4.0
#> [9] tools_4.1.2 xfun_0.29 cli_3.2.0 jquerylib_0.1.4
#> [13] htmltools_0.5.2 systemfonts_1.0.3 yaml_2.3.4 digest_0.6.29
#> [17] rprojroot_2.0.2 pkgdown_2.0.2 crayon_1.5.0 textshaping_0.3.6
#> [21] purrr_0.3.4 sass_0.4.0 fs_1.5.2 memoise_2.0.1
#> [25] cachem_1.0.6 evaluate_0.15 rmarkdown_2.11 stringi_1.7.6
#> [29] compiler_4.1.2 bslib_0.3.1 desc_1.4.0 jsonlite_1.7.3