Draft R Markdown document

Author
Affiliation

Peter Jakobsgaard

BMB

── Attaching core tidyverse packages ──────────────────────── tidyverse 2.0.0 ──
✔ dplyr     1.1.3     ✔ readr     2.1.4
✔ forcats   1.0.0     ✔ stringr   1.5.0
✔ ggplot2   3.4.3     ✔ tibble    3.2.1
✔ lubridate 1.9.3     ✔ tidyr     1.3.0
✔ purrr     1.0.2     
── Conflicts ────────────────────────────────────────── tidyverse_conflicts() ──
✖ dplyr::filter() masks stats::filter()
✖ dplyr::lag()    masks stats::lag()
ℹ Use the conflicted package (<http://conflicted.r-lib.org/>) to force all conflicts to become errors
── Attaching packages ────────────────────────────────────── tidymodels 1.1.1 ──

✔ broom        1.0.5     ✔ rsample      1.2.0
✔ dials        1.2.0     ✔ tune         1.1.2
✔ infer        1.0.4     ✔ workflows    1.1.3
✔ modeldata    1.2.0     ✔ workflowsets 1.0.1
✔ parsnip      1.1.1     ✔ yardstick    1.2.0
✔ recipes      1.0.8     

── Conflicts ───────────────────────────────────────── tidymodels_conflicts() ──
✖ scales::discard() masks purrr::discard()
✖ dplyr::filter()   masks stats::filter()
✖ recipes::fixed()  masks stringr::fixed()
✖ dplyr::lag()      masks stats::lag()
✖ yardstick::spec() masks readr::spec()
✖ recipes::step()   masks stats::step()
• Search for functions across packages at https://www.tidymodels.org/find/

results

Descriptive statistics of the metabolites.
Metabolite Mean SD
CDCl3 (solvent) 180 (67)
Cholesterol 18.6 (11.4)
FA -CH2CH2COO- 33.6 (7.8)
Lipid -CH2- 536.6 (61.9)
Lipid CH3- 1 98.3 (73.8)
Lipid CH3- 2 168.2 (29.2)
MUFA+PUFA 32.9 (16.1)
PUFA 30 (24.1)
Phosphatidycholine 31.7 (20.5)
Phosphatidylethanolamine 10 (7.6)
Phospholipids 2.7 (2.6)
TMS (interntal standard) 123 (130.4)
`stat_bin()` using `bins = 30`. Pick better value with `binwidth`.

Running multiple models!

Warning: glm.fit: algorithm did not converge
Warning: glm.fit: fitted probabilities numerically 0 or 1 occurred

Warning: glm.fit: fitted probabilities numerically 0 or 1 occurred
# A tibble: 12 × 5
   term                                 estimate  std.error statistic p.value
   <chr>                                   <dbl>      <dbl>     <dbl>   <dbl>
 1 metabolite_cd_cl_3_solvent          8.70e-  2      0.865 -2.82     0.00475
 2 metabolite_cholesterol              2.97e+  0      0.458  2.38     0.0175 
 3 metabolite_fa_ch_2_ch_2_coo         1.52e+  0      0.387  1.09     0.276  
 4 metabolite_lipid_ch_2               2.59e-  3      3.14  -1.90     0.0578 
 5 metabolite_lipid_ch_3_1             4.45e+  1      1.41   2.70     0.00697
 6 metabolite_lipid_ch_3_2             8.85e-  1      0.361 -0.339    0.734  
 7 metabolite_mufa_pufa                4.56e-  1      0.449 -1.75     0.0798 
 8 metabolite_phosphatidycholine       1.28e-120 116628.    -0.00237  0.998  
 9 metabolite_phosphatidylethanolamine 2.69e+  1      1.32   2.49     0.0129 
10 metabolite_phospholipids            2.39e- 19  68964.    -0.000622 1.00   
11 metabolite_pufa                     3.27e+  0      0.560  2.11     0.0345 
12 metabolite_tms_interntal_standard   5.62e-  2      0.990 -2.91     0.00363
# A tibble: 12 × 6
   term                         metabolite  estimate std.error statistic p.value
   <chr>                        <chr>          <dbl>     <dbl>     <dbl>   <dbl>
 1 metabolite_tms_interntal_st… TMS (inte… 5.62e-  2   9.90e-1 -2.91     0.00363
 2 metabolite_cholesterol       Cholester… 2.97e+  0   4.58e-1  2.38     0.0175 
 3 metabolite_lipid_ch_3_1      Lipid CH3… 4.45e+  1   1.41e+0  2.70     0.00697
 4 metabolite_lipid_ch_3_2      Lipid CH3… 8.85e-  1   3.61e-1 -0.339    0.734  
 5 metabolite_lipid_ch_2        Lipid -CH… 2.59e-  3   3.14e+0 -1.90     0.0578 
 6 metabolite_fa_ch_2_ch_2_coo  FA -CH2CH… 1.52e+  0   3.87e-1  1.09     0.276  
 7 metabolite_pufa              PUFA       3.27e+  0   5.60e-1  2.11     0.0345 
 8 metabolite_phosphatidyletha… Phosphati… 2.69e+  1   1.32e+0  2.49     0.0129 
 9 metabolite_phosphatidycholi… Phosphati… 1.28e-120   1.17e+5 -0.00237  0.998  
10 metabolite_phospholipids     Phospholi… 2.39e- 19   6.90e+4 -0.000622 1.00   
11 metabolite_mufa_pufa         MUFA+PUFA  4.56e-  1   4.49e-1 -1.75     0.0798 
12 metabolite_cd_cl_3_solvent   CDCl3 (so… 8.70e-  2   8.65e-1 -2.82     0.00475

Figure of model estimate