thomas-muench
commented
1 month ago I dug down the code and somewhat clarified the issue:
- first of all, the RMSD value of the quality control (QC) standard for a specific measurement, as output by
piccr, is always calculated across all instances of the QC standard occuring in the measurement file, so in the specific case, all DML results from the first, middle, and third block are used to calculate the RMSD. - however, there is indeed a bug in the output: if you look at the
run.infooutput file, section "Specific data for each measurement file" -> "RMSD of quality control standards", this RMSD value is recycled to the length of the number of occurrences of the QC standard in the measurement, so in the current case 4 times, while the correct output should be one RMSD value per measurement. I will make a corresponding update -> fixed by #57. - The requested output information of the deviation from the true value of the QC standard across the measurement, if the standard is used several times in the measurement, is actually already accessible via the
run.info: you need to scroll down a bit to see the section "Specific deviations from true standard values", which lists a tibble for each measurement file with the standard deviations of all used standards for all vials.
DML Quality Control Standard was put in the first, second and third block of the measurement setup instead of just in the middle block. With the piccr calibration it is not clear which of these DML samples are used for calculating the independent RMSE. Would be nice if the output would show the error for each of the DML samples/vials or blocks seperately to see if the RMSE changes across the measurement - This could also be interesting to know also to check if we could make longer measurements, with more samples between the Standard blocks.