Concordant inter-laboratory derived concentrations of ceramides in human plasma reference materials via authentic standards

Concordant inter-laboratory derived concentrations of ceramides in human plasma reference materials via authentic standards

In this community effort, we compared measurements between 34 laboratories from 19 countries, utilizing mixtures of labelled authentic synthetic standards, to quantify by mass spectrometry four clinically used ceramide species in the NIST (National Institute of Standards and Technology) human blood plasma Standard Reference Material (SRM) 1950, as well as new suite of candidate plasma reference materials (RM 8231). Participants either utilized a provided validated method (SOP) and/or their method of choice (OTHER). Mean concentration values, and intra- and inter-laboratory coefficients of variation (CV) were calculated using single-point and multi-point calibrations, respectively.

The attached file "ILS-Ceramide-Ring-Trial-Datasets.csv"  and the table below map the lab number (LabNum) used in the manuscript in all plots to the originally assigned submission Id (LabId) used in the anonymized reports containing the peak areas submitted by each lab for their SOP (Standard) and / or OTHER (Preferred) workflow. The table below provides further information on the separation used (LC), the mass analyzer type (QQQ=Triple Quads and Traps, Orbitrap, TOF) and the associated mass analyzer resolution (LowRes, HighRes), and links each LabNum to the corresponding dataset name and Zenodo DOI, if available. In order to retain the anonymity of all participating labs w.r.t. the submitted datasets, only the converted mzML files are provided in the linked submissions. Please note that labs were free to choose whether they wanted to disclose their MS data or not. Thus, missing datasets indicate that the corresponding lab did not provide their raw / mzML data. 

All reports together with the code for analysis and visualization, reproducing the figures in the manuscript, are available under the following doi: https://zenodo.org/doi/10.5281/zenodo.10081970. This links to releases of the following GitHub repository: https://github.com/lifs-tools/ils-ceramide-ring-trial. 

Ring Trial mzML Datasets

LabNum
LabId
Protocol
LC
MassAnalyzerType
MassAnalyzerResolution
DatasetName
DOI

1
02b
SOP
RP
QQQ
LowRes
Lab_01_SOP
10.5281/zenodo.13134264

2
3
OTHER
RP
QQQ
LowRes
Lab_02_OTHER
10.5281/zenodo.13145059

3
4
SOP
RP
QQQ
LowRes
Lab_03_SOP
10.5281/zenodo.13134437

4
5
OTHER
RP
QQQ
LowRes
Lab_04_OTHER

5
7
OTHER
RP
Orbitrap
HighRes
Lab_05_OTHER
10.5281/zenodo.13134439

6
9
OTHER
FIA
QQQ
LowRes
Lab_06_OTHER
10.5281/zenodo.13134441

7
10a
SOP
RP
QQQ
LowRes
Lab_07_SOP
10.5281/zenodo.13134445

7
10b
OTHER
RP
QQQ
LowRes
Lab_07_OTHER
10.5281/zenodo.13134443

8
12
SOP
RP
QQQ
LowRes
Lab_08_SOP
10.5281/zenodo.13134447

9
13
OTHER
RP
QQQ
LowRes
Lab_09_OTHER

10
14
SOP
RP
QQQ
LowRes
Lab_10_SOP

11
15
SOP
RP
QQQ
LowRes
Lab_11_SOP
10.5281/zenodo.13134449

12
16
OTHER
RP
Orbitrap
HighRes
Lab_12_OTHER
10.5281/zenodo.13134451

13
17a
OTHER
RP
TOF
HighRes
Lab_13_OTHER

14
18a
SOP
RP
QQQ
LowRes
Lab_14_SOP
10.5281/zenodo.13135617

14
18b
SOP
RP
QQQ
LowRes
Lab_14_SOP
10.5281/zenodo.13135617

15
19
SOP
RP
QQQ
LowRes
Lab_15_SOP
10.5281/zenodo.13135625

16
20a
SOP
RP
QQQ
LowRes
Lab_16_SOP

16
20b
OTHER
RP
QQQ
LowRes
Lab_16_OTHER

17
21
SOP
RP
QQQ
LowRes
Lab_17_SOP

18
22
SOP
RP
QQQ
LowRes
Lab_18_SOP
10.5281/zenodo.13135627

19
23
SOP
RP
QQQ
LowRes
Lab_19_SOP
10.5281/zenodo.13135629

20
24
SOP
RP
QQQ
LowRes
Lab_20_SOP

21
25
SOP
RP
QQQ
LowRes
Lab_21_SOP
10.5281/zenodo.13244007

22
26a
OTHER
FIA
Orbitrap
HighRes
Lab_22_OTHER

22
26b
OTHER
FIA
QQQ
LowRes
Lab_22_OTHER

23
27
SOP
RP
QQQ
LowRes
Lab_23_SOP
10.5281/zenodo.13135632

24
28
SOP
RP
QQQ
LowRes
Lab_24_SOP
10.5281/zenodo.13135634

25
29a
SOP
RP
TOF
HighRes
Lab_25_SOP
10.5281/zenodo.13136167

25
29b
OTHER
SFC
QQQ
LowRes
Lab_25_OTHER
10.5281/zenodo.13135638

26
30
SOP
RP
QQQ
LowRes
Lab_26_SOP
10.5281/zenodo.13136171

27
31
SOP
RP
QQQ
LowRes
Lab_27_SOP
10.5281/zenodo.13136176

28
32
OTHER
RP
TOF
HighRes
Lab_28_OTHER

29
33
OTHER
RP
QQQ
LowRes
Lab_29_OTHER

30
34
SOP
RP
QQQ
LowRes
Lab_30_SOP

31
35
OTHER
RP
QQQ
LowRes
Lab_31_OTHER

32
36
SOP
RP
QQQ
LowRes
Lab_32_SOP
10.5281/zenodo.13166454

33
37
OTHER
RP
QQQ
LowRes
Lab_33_OTHER
10.5281/zenodo.13732469

34
38
SOP
RP
QQQ
LowRes
Lab_34_SOP
10.5281/zenodo.13324807