Table 1.
Assessment of analytical sensitivity as well as analytical and biological repeatability of the automated in vitro metabolomics workflow across three nESI-DIMS assays. P(+), P(−), L(+) correspond to polar positive, polar negative and lipid positive nESI-DIMS assays. For the measurement of repeatability, the number of replicates is given in brackets below the mRSD value.
| Dataset after PQN | Dataset after RSD Filter | ||||||
|---|---|---|---|---|---|---|---|
| Assessment | Parameter | P(+) | P(−) | L(+) | P(+) | P(−) | L(+) |
| Analytical sensitivity |
Spectral feature count | 3120 | 4862 | 3937 | 2329 | 4782 | 3788 |
| Analytical repeatability |
mRSD (%) intrastudy QCs |
20.9 (n = 14) |
7.8 (n = 14) |
13.1 (n = 9) |
17.3 (n = 14) |
7.8 (n = 14) |
12.8 (n = 9) |
| Biological and analytical repeatability |
mRSD (%) biological control samples |
31.3 (n = 75) |
19.5 (n = 75) |
24 (n = 47) |
27.6 (n = 75) |
19.3 (n = 75) |
23.6 (n = 47) |