Method D

2. Generating Testing Data

Here, I removed gly from the testing data due to lacking of beta carbon chemical shift

3. Chi-Square

Finding the sum of absolute value of the difference between predicted and observed.

Reference Correction Calculation Function, return the sum of absolute difference

Overall Testing Function

The last version return a correction -0.38. And this version return a correction of -2.220446e-16, which is really small, and the correct reference is 0. 

## [[1]]
##  [1] 1.1643253223211436 1.1466866446299548 1.1277547842745033
##  [4] 1.1096869434789784 1.1039893010708210 1.0993356780398322
##  [7] 1.0913376600414062 1.0796016057727265 1.0630000753591371
## [10] 1.0506922054208916 1.0428865737127622 1.0295722876130684
## [13] 1.0137260881595624 0.9945272212151037 0.9750737163872024
## [16] 0.9511294530168716 0.9225973000921601 0.8941144058287264
## [19] 0.8661978832567622 0.8374869879008389 0.8085634802794925
## [22] 0.7803293097424069 0.7650520655175822 0.7583228992249692
## [25] 0.7566079798020803 0.7666758029287287 0.7816162429846425
## [28] 0.8018387263078113 0.8282742023937613 0.8540701377799303
## [31] 0.8780094054645878 0.9016473363452306 0.9238916410939505
## [34] 0.9523775082959217 0.9839539969056332 1.0141585316490067
## [37] 1.0396671032375637 1.0601561686221272 1.0753163295113011
## [40] 1.0860003171002421 1.0936131661007755 1.1135546203570199
## [43] 1.1281051667164672 1.1381471084459072 1.1422347587472705
## [46] 1.1352513349350646 1.1204405659510921 1.1019013418675008
## [49] 1.0855772600486011 1.0748241677326380
## 
## [[2]]
##  [1] 0.8347212865259954 0.8289653055548268 0.8231738198532550
##  [4] 0.8173853922647991 0.8114843282902923 0.8056152301051169
##  [7] 0.7997615785725196 0.7940742792250676 0.7884892302829014
## [10] 0.7829907710443680 0.7775929082021222 0.7734199963537890
## [13] 0.7705650135776836 0.7678051077072560 0.7658863020775676
## [16] 0.7642545399683771 0.7627756397176472 0.7612556409868428
## [19] 0.7599061248920879 0.7588260051081904 0.7578374096383235
## [22] 0.7571502021552772 0.7567021056937102 0.7565149091972632
## [25] 0.7565529712365160 0.7566985620753812 0.7582391624422871
## [28] 0.7603391370424418 0.7627385726408865 0.7653385576492592
## [31] 0.7680427850177064 0.7709820957843979 0.7739607121741766
## [34] 0.7769567231373294 0.7800077120304583 0.7832765477189116
## [37] 0.7866417527339372 0.7900022096413511 0.7940119412590720
## [40] 0.7992308450303186 0.8044778600837452 0.8097050320928323
## [43] 0.8150742567934295 0.8204591893479569 0.8256769513356369
## [46] 0.8308584628473406 0.8359752765729734 0.8411945385765560
## [49] 0.8463497571742680 0.8515108182091009
## 
## [[3]]
## [1] -0.1020408163265305
## 
## [[4]]
## [1] -0.1632653061224489