Wed May 08 10:54:36.879 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:54:36.894 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_48\1\pdata\1
Wed May 08 10:54:36.910 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:54:36.926 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:54:36.941 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:54:36.972 CEST 2019: No HSQC data available
Wed May 08 10:54:37.004 CEST 2019: No C13 data available
Wed May 08 10:54:37.051 CEST 2019: No HMBC data available
Wed May 08 10:54:37.066 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:54:37.129 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:54:37.848 CEST 2019: Structure is used: true
Wed May 08 10:54:37.864 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_48/1/D12.mol
Wed May 08 10:54:37.879 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.75 s.
Wed May 08 10:54:37.911 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:54:37.911 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:54:37.926 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:54:37.942 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:54:37.942 CEST 2019: Spectrum is suppressed.
Wed May 08 10:54:37.957 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:54:37.957 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:54:37.973 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:54:37.989 CEST 2019: Expected impurity: TSP
Wed May 08 10:54:38.004 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:54:38.004 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 10:54:38.020 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 10:54:38.036 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 10:54:38.036 CEST 2019: RMSD noise: 674.744 (-0.203/-0.703)
Wed May 08 10:54:38.051 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:54:38.067 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:54:38.082 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:54:38.129 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:54:38.412 CEST 2019: Number of Peaks: (56, 13)
Wed May 08 10:54:38.427 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 10:54:38.443 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:54:38.459 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:54:38.459 CEST 2019: Signal-to-Noise ratio: 4081.58 (2.225 ppm)
Wed May 08 10:54:38.474 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:54:38.490 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:54:38.490 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.60 s.
Wed May 08 10:54:38.568 CEST 2019: Number of Multiplets: 140
Wed May 08 10:54:38.584 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 10:54:38.724 CEST 2019: Number of Peak Cluster: 20
Wed May 08 10:54:38.740 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 10:54:38.990 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.24 s.
Wed May 08 10:54:39.474 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.48 s.
Wed May 08 10:54:39.490 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:54:39.505 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 10:54:39.521 CEST 2019: Number of consistent PNS: 1
Wed May 08 10:54:39.521 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:54:39.552 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 10:54:39.629 CEST 2019: Number of ASL: 9
Wed May 08 10:54:39.644 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Wed May 08 10:54:40.177 CEST 2019: Elapsed time for evaluation (IN Suite): 0.52 s.
Wed May 08 10:54:40.216 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:54:40.216 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:54:41.044 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 10:54:41.060 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:54:41.060 CEST 2019: CMC-q finished in 4.18 s.
