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Information
The R2,eff values are calculated for the two point sampling scheme that is commonly used for the CT-
CPMG experiments described in Frans A. A. Mulder, Nikolai R. Skrynnikov, Bin Hon, Frederick W.
Dahlquist, and Lewis E. Kay, J. Am. Chem. Soc., 2001, 123, 967–975.
The R2,eff errors are derived using error propagation analysis based on the spectral noise.
Input file format
Define your experimental intensity data in this section. More then one file can be uploaded, each file
representing data measured at different magnetic field.
The input-file should have the following format:
The input-file should have the following format:
1st line | Value of the B0 field for the nuclei of interest in MHz (e.g. 60.12). |
2nd line | Value of the constant relaxation time for the CPMG experiment in seconds (e.g. 0.04). |
3rd line | CPMG frequencies in (s-1). |
4th line | Noise level for spectra measured at different vCMPG and reference spectra. Reference spectra noise level must be listed as a first entry |
5th line | Comment line. In the example file, we described the data format (e.g. #residue I_ref I_vCPMG ...) |
> 5th line | The first column specifies the residue one letter code and number, followed by the intensity in the reference spectra and the intensities at the CPMG frequencies specified in the 3rd line. The missing values should be specified as NA (not available). |
Example
60.12 0.040000 vCPMG ref 50.000 100.000 200.000 300.000 400.000 500.000 600.000 700.000 800.000 900.000 1000.000 noise 3404.280 3404.280 3404.280 3404.280 3404.280 3404.280 3404.280 3404.280 3404.280 3404.280 3404.280 3404.280 #residue I_ref I_vCPMG ... A1 1702140.0 401586.7 380964.4 399136.8 432244.0 470716.2 524817.6 577182.4 615260.1 635014.4 660592.5 683629.5 B2 2094770.0 554908.3 579980.0 648026.7 722500.4 812130.3 825192.9 870851.8 865054.4 882115.3 901780.6 900937.1 C3 2301070.0 645496.1 658526.7 713688.8 816601.9 890347.2 917056.8 956372.7 958961.1 NA NA NA D4 1511670.0 434443.6 444887.2 488337.6 548940.6 581184.3 599482.4 631493.9 644166.4 652242.5 661777.9 642723.1 E5 1956020.0 582484.4 641036.4 676107.0 759173.3 805109.5 832684.3 832439.5 844349.7 838884.4 863118.8 869382.9