Wed May 08 16:11:18.330 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:11:18.330 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_C12\1\pdata\1
Wed May 08 16:11:18.361 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:11:18.377 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:11:18.377 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:11:18.423 CEST 2019: No HSQC data available
Wed May 08 16:11:18.455 CEST 2019: No C13 data available
Wed May 08 16:11:18.488 CEST 2019: No HMBC data available
Wed May 08 16:11:18.503 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:11:18.552 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:11:19.037 CEST 2019: Structure is used: true
Wed May 08 16:11:19.069 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_C12/1/C12.mol
Wed May 08 16:11:19.084 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.51 s.
Wed May 08 16:11:19.100 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:11:19.115 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:11:19.115 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:11:19.131 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:11:19.131 CEST 2019: Spectrum is suppressed.
Wed May 08 16:11:19.147 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:11:19.162 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:11:19.162 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:11:19.178 CEST 2019: Expected impurity: TSP
Wed May 08 16:11:19.194 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:11:19.209 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 16:11:19.209 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 16:11:19.225 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:11:19.225 CEST 2019: RMSD noise: 708.771 (-0.812/-1.312)
Wed May 08 16:11:19.240 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:11:19.256 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:11:19.272 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:11:19.318 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:11:19.492 CEST 2019: Number of Peaks: (38, 10)
Wed May 08 16:11:19.508 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 16:11:19.523 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:11:19.539 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:11:19.555 CEST 2019: Signal-to-Noise ratio: 3304.59 (1.989 ppm)
Wed May 08 16:11:19.570 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:11:19.570 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:11:19.586 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Wed May 08 16:11:19.618 CEST 2019: Number of Multiplets: 57
Wed May 08 16:11:19.634 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:11:19.712 CEST 2019: Number of Peak Cluster: 18
Wed May 08 16:11:19.712 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 16:11:19.853 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 16:11:20.215 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 16:11:20.230 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:11:20.246 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:11:20.262 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:11:20.277 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:11:20.293 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:11:20.418 CEST 2019: Number of ASL: 82
Wed May 08 16:11:20.433 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.14 s.
Wed May 08 16:11:20.949 CEST 2019: Elapsed time for evaluation (IN Suite): 0.50 s.
Wed May 08 16:11:20.980 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:11:20.996 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:11:20.996 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:11:21.780 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 16:11:21.780 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:11:21.795 CEST 2019: CMC-q finished in 3.46 s.
