Dataset ID: BMkVBvyYJxkRlofNtXeYPFyN
Dataset status: data analysis is finished


Results interpretation

Automated peak picking is a two stage procedure:
  • Selection of key points in a spectrum (up to 1 000 000+ points for large NOESY spectrum)
  • Analysis of spectrum in the proximity of each key point using convolutional neural network (NMRNet)

In the second stage, NMRNet assigns a numerical score to each keypoint. It's value is proportional to probability that a keypoint represents a position of a true peak rather than an artifact.Analysis of all keypoints leads to the final result, which is a list of all keypoints sorted in descending order by score value.

Because only a fraction of keypoints encode true peaks, the result (keypoint ranking) has been thresholded at 0.98, 0.95, 0.9, 0.75, 0.5, 0.25, 0.1, 0.05, 0.02, 0.00. Scores close to 1.0 represent strong signals that are likely to be true peaks, scores close to 0.0 represent artifacts. Please note that true signals are strong in backbone experiments. Therefore scores larger than 0.90 are likely to represent true peaks. On the contrary, multiple signals are almost indistinguishable from noise in NOESY spectra. Therefore scores larger than 0.25 or 0.1 may have practical value.


Spectrum: 15NHSQC

Score
threshold
Number of peaksSparky formatCSV
0.9835DownloadDownload
0.9576DownloadDownload
0.9110DownloadDownload
0.75148DownloadDownload
0.5178DownloadDownload
0.25268DownloadDownload
0.11225DownloadDownload
0.051833DownloadDownload
0.021939DownloadDownload
0.01941DownloadDownload

Spectrum: C13_NOESY

Score
threshold
Number of peaksSparky formatCSV
0.98289DownloadDownload
0.95542DownloadDownload
0.9834DownloadDownload
0.751487DownloadDownload
0.52541DownloadDownload
0.255933DownloadDownload
0.121503DownloadDownload
0.0530030DownloadDownload
0.0233458DownloadDownload
0.036422DownloadDownload

Spectrum: HNCACB

Score
threshold
Number of peaksSparky formatCSV
0.9875DownloadDownload
0.95112DownloadDownload
0.9159DownloadDownload
0.75300DownloadDownload
0.5829DownloadDownload
0.257039DownloadDownload
0.144715DownloadDownload
0.0599004DownloadDownload
0.02126022DownloadDownload
0.0128000DownloadDownload

Spectrum: N15_NOESY

Score
threshold
Number of peaksSparky formatCSV
0.9871DownloadDownload
0.95126DownloadDownload
0.9181DownloadDownload
0.75311DownloadDownload
0.5536DownloadDownload
0.251319DownloadDownload
0.113691DownloadDownload
0.0534761DownloadDownload
0.0243328DownloadDownload
0.043745DownloadDownload


Sever logs

Automated peak picking
	Processing 15NHSQC
	Spectrum 15NHSQC has been scanned successfully
	Processing C13_NOESY
	Spectrum C13_NOESY has been scanned successfully
	Processing HNCACB
	Spectrum HNCACB has been scanned successfully
	Processing N15_NOESY
	Spectrum N15_NOESY has been scanned successfully
Refining peak lists
Generating peak lists
Peak lists generated
Uploading results to HTTP server...
Script has finished successfully
[DONE]