Wed May 08 10:44:57.922 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:44:57.922 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_19\1\pdata\1
Wed May 08 10:44:57.938 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:44:57.953 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:44:57.969 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:44:58.000 CEST 2019: No HSQC data available
Wed May 08 10:44:58.047 CEST 2019: No C13 data available
Wed May 08 10:44:58.080 CEST 2019: No HMBC data available
Wed May 08 10:44:58.095 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:44:58.152 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:44:58.930 CEST 2019: Structure is used: true
Wed May 08 10:44:58.979 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_19/1/B07.mol
Wed May 08 10:44:58.979 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.82 s.
Wed May 08 10:44:59.008 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:44:59.024 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:44:59.024 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:44:59.039 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:44:59.039 CEST 2019: Spectrum is suppressed.
Wed May 08 10:44:59.055 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:44:59.070 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:44:59.070 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:44:59.086 CEST 2019: Expected impurity: TSP
Wed May 08 10:44:59.102 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:44:59.117 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 10:44:59.117 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 10:44:59.133 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:44:59.149 CEST 2019: RMSD noise: 675.800 (8.280/7.780)
Wed May 08 10:44:59.149 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:44:59.164 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:44:59.180 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:44:59.228 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:44:59.400 CEST 2019: Number of Peaks: (38, 11)
Wed May 08 10:44:59.415 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 10:44:59.431 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:44:59.431 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:44:59.447 CEST 2019: Signal-to-Noise ratio: 3529.09 (7.337 ppm)
Wed May 08 10:44:59.447 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:44:59.462 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:44:59.478 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Wed May 08 10:44:59.509 CEST 2019: Number of Multiplets: 54
Wed May 08 10:44:59.509 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 10:44:59.884 CEST 2019: Number of Peak Cluster: 14
Wed May 08 10:44:59.884 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.36 s.
Wed May 08 10:44:59.931 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 10:45:00.408 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Wed May 08 10:45:00.455 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 10:45:00.455 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:45:00.486 CEST 2019: Number of consistent PNS: 4
Wed May 08 10:45:00.486 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:45:00.502 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:45:00.549 CEST 2019: Number of ASL: 3
Wed May 08 10:45:00.549 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Wed May 08 10:45:00.924 CEST 2019: Elapsed time for evaluation (IN Suite): 0.35 s.
Wed May 08 10:45:00.949 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:45:00.949 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:45:01.852 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.93 s.
Wed May 08 10:45:01.868 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:45:01.883 CEST 2019: CMC-q finished in 3.96 s.
