Examples from the second round of CASD-NMR.

HR2876B with refined peak lists
Inputs:
Set format to: BMRB NMRSTAR v3.1
assignment file:  download

Set format to: SPARKY
15N-NOESY:  download
13C-NOESY aliphatic:  download
13C-NOESY aromatic:  download

Set Validations type: Backbone and ali/arom side chain
Outputs:
Short report: (opens in a new tab)
2D scatter plot of probabilities vs. confidences: (opens in a new tab)
html report: (opens in a new tab)
xml report: (opens in a new tab)
Comprehensive report: (pdf)
Assigned expected peaks: (in SPARKY format)


HR2876B with raw peak lists
Inputs:
Set format to: BMRB NMRSTAR v3.1
assignment file:  download

Set format to: SPARKY
15N-NOESY:  download
13C-NOESY aliphatic:  download
13C-NOESY aromatic:  download

Set Validations type: Backbone and ali/arom side chain
Outputs:
Short report: (opens in a new tab)
2D scatter plot of probabilities vs. confidences: (opens in a new tab)
html report: (opens in a new tab)
xml report: (opens in a new tab)
Comprehensive report: (pdf)
Assigned expected peaks: (in SPARKY format)


OR36 with final peak lists
Inputs:
Set format to: BMRB NMRSTAR v3.1
assignment file:  download

Set format to: XEASY
15N-NOESY:  download
13C-NOESY aliphatic:  download
13C-NOESY aromatic:  download

Set Validations type: Backbone and ali/arom side chain
Outputs:
Short report: (opens in a new tab)
2D scatter plot of probabilities vs. confidences: (opens in a new tab)
html report: (opens in a new tab)
xml report: (opens in a new tab)
Comprehensive report: (pdf)
Assigned expected peaks: (in SPARKY format)


OR36 with raw peak lists
Inputs:
Set format to: BMRB NMRSTAR v3.1
assignment file:  download

Set format to: SPARKY
15N-NOESY:  download
13C-NOESY aliphatic:  download
13C-NOESY aromatic:  download

Set Validations type: Backbone and ali/arom side chain
Outputs:
Short report: (opens in a new tab)
2D scatter plot of probabilities vs. confidences: (opens in a new tab)
html report: (opens in a new tab)
xml report: (opens in a new tab)
Comprehensive report: (pdf)
Assigned expected peaks: (in SPARKY format)