Wed May 08 09:19:25.969 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:19:25.969 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_28\1\pdata\1
Wed May 08 09:19:25.984 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:19:26.000 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:19:26.000 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:19:26.031 CEST 2019: No HSQC data available
Wed May 08 09:19:26.047 CEST 2019: No C13 data available
Wed May 08 09:19:26.062 CEST 2019: No HMBC data available
Wed May 08 09:19:26.062 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:19:26.109 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:19:26.503 CEST 2019: Structure is used: true
Wed May 08 09:19:26.534 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_28/1/27.mol
Wed May 08 09:19:26.534 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.41 s.
Wed May 08 09:19:26.550 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:19:26.550 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:19:26.565 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:19:26.565 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:19:26.581 CEST 2019: Spectrum is suppressed.
Wed May 08 09:19:26.581 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:19:26.596 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:19:26.596 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:19:26.612 CEST 2019: Expected impurity: TSP
Wed May 08 09:19:26.628 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:19:26.628 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 09:19:26.643 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 09:19:26.643 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:19:26.660 CEST 2019: RMSD noise: 631.465 (-0.812/-1.312)
Wed May 08 09:19:26.667 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:19:26.675 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:19:26.675 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:19:26.722 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:19:26.862 CEST 2019: Number of Peaks: (42, 11)
Wed May 08 09:19:26.879 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 09:19:26.879 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:19:26.895 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:19:26.895 CEST 2019: Signal-to-Noise ratio: 1884.88 (2.945 ppm)
Wed May 08 09:19:26.910 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:19:26.910 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:19:26.926 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Wed May 08 09:19:26.957 CEST 2019: Number of Multiplets: 95
Wed May 08 09:19:26.973 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:19:27.035 CEST 2019: Number of Peak Cluster: 15
Wed May 08 09:19:27.051 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:19:27.223 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 09:19:27.488 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Wed May 08 09:19:27.504 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:19:27.520 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:19:27.535 CEST 2019: Number of consistent PNS: 2
Wed May 08 09:19:27.535 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:19:27.551 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:19:27.645 CEST 2019: Number of ASL: 54
Wed May 08 09:19:27.660 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.10 s.
Wed May 08 09:19:28.146 CEST 2019: Elapsed time for evaluation (IN Suite): 0.47 s.
Wed May 08 09:19:28.162 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:19:28.177 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:19:28.177 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:19:28.767 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 09:19:28.775 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:19:28.775 CEST 2019: CMC-q finished in 2.81 s.
