Wed May 08 16:30:37.480 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:30:37.496 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_H12\1\pdata\1
Wed May 08 16:30:37.511 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:30:37.527 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:30:37.527 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:30:37.558 CEST 2019: No HSQC data available
Wed May 08 16:30:37.589 CEST 2019: No C13 data available
Wed May 08 16:30:37.621 CEST 2019: No HMBC data available
Wed May 08 16:30:37.636 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:30:37.692 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:30:38.037 CEST 2019: Structure is used: true
Wed May 08 16:30:38.068 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_H12/1/H12.mol
Wed May 08 16:30:38.068 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.37 s.
Wed May 08 16:30:38.084 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:30:38.099 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:30:38.099 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:30:38.115 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:30:38.115 CEST 2019: Spectrum is suppressed.
Wed May 08 16:30:38.131 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:30:38.131 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:30:38.146 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:30:38.146 CEST 2019: Expected impurity: TSP
Wed May 08 16:30:38.162 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:30:38.162 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 16:30:38.177 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 16:30:38.177 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 16:30:38.193 CEST 2019: RMSD noise: 643.923 (10.704/10.204)
Wed May 08 16:30:38.193 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:30:38.209 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:30:38.209 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:30:38.256 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:30:38.381 CEST 2019: Number of Peaks: (38, 11)
Wed May 08 16:30:38.381 CEST 2019: Elapsed time for evaluation (PP Suite): 0.13 s.
Wed May 08 16:30:38.396 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:30:38.396 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:30:38.412 CEST 2019: Signal-to-Noise ratio: 2969.29 (2.321 ppm)
Wed May 08 16:30:38.412 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:30:38.427 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:30:38.427 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.36 s.
Wed May 08 16:30:38.474 CEST 2019: Number of Multiplets: 78
Wed May 08 16:30:38.490 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:30:38.552 CEST 2019: Number of Peak Cluster: 16
Wed May 08 16:30:38.552 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 16:30:38.708 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Wed May 08 16:30:38.975 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.26 s.
Wed May 08 16:30:38.984 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:30:38.985 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:30:39.001 CEST 2019: Number of consistent PNS: 6
Wed May 08 16:30:39.001 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:30:39.017 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:30:39.237 CEST 2019: Number of ASL: 28
Wed May 08 16:30:39.252 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.22 s.
Wed May 08 16:30:39.533 CEST 2019: Elapsed time for evaluation (IN Suite): 0.27 s.
Wed May 08 16:30:39.549 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:30:39.565 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:30:40.160 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 16:30:40.160 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:30:40.175 CEST 2019: CMC-q finished in 2.69 s.
