Carbon Resonance Analysis

Covariance Method

1. Find out all the possible resonance labels in RefDB data

##  [1] "HA"   "HB2"  "HB3"  "CA"   "CB"   "H"    "HB"   "HG12" "HG13" "HG2" 
## [11] "HD1"  "CG1"  "CG2"  "CD1"  "HG3"  "HD2"  "HD3"  "C"    "CG"   "CD"  
## [21] "N"    "HG"   "CD2"  "HE1"  "HE3"  "HZ2"  "HZ3"  "HH2"  "CE3"  "CZ2" 
## [31] "CZ3"  "CH2"  "NE1"  "HG1"  "HA2"  "HA3"  "HE2"  "CE"   "HE"   "NE"  
## [41] "HE21" "HE22" "NE2"  "HD21" "HD22" "ND2"  "HZ"   "CE1"  "CE2"  "CZ"  
## [51] "HH11" "HH12" "HH21" "HH22" "ND1"  "NZ"   "NH1"  "NH2"  "OOH"  "HH"  
## [61] "HG21" "HG22" "HG23" "C1"   "H1"   "HB1"  "HN"   "HD"   "H2"   "HP"  
## [71] "HH1"  "HZ1"

2 Find all the carbon resonance

##  [1] "C"   "C1"  "CA"  "CB"  "CD"  "CD1" "CD2" "CE"  "CE1" "CE2" "CE3"
## [12] "CG"  "CG1" "CG2" "CH2" "CZ"  "CZ2" "CZ3"