Wed May 08 16:09:39.890 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:09:39.906 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_C06\1\pdata\1
Wed May 08 16:09:39.922 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:09:39.937 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:09:39.953 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:09:40.000 CEST 2019: No HSQC data available
Wed May 08 16:09:40.047 CEST 2019: No C13 data available
Wed May 08 16:09:40.079 CEST 2019: No HMBC data available
Wed May 08 16:09:40.095 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:09:40.160 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:09:40.788 CEST 2019: Structure is used: true
Wed May 08 16:09:40.824 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_C06/1/C06.mol
Wed May 08 16:09:40.824 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Wed May 08 16:09:40.860 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:09:40.861 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:09:40.877 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:09:40.877 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:09:40.892 CEST 2019: Spectrum is suppressed.
Wed May 08 16:09:40.908 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:09:40.908 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:09:40.923 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:09:40.939 CEST 2019: Expected impurity: TSP
Wed May 08 16:09:40.955 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:09:40.955 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 16:09:40.970 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 16:09:40.970 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:09:40.986 CEST 2019: RMSD noise: 639.389 (10.098/9.598)
Wed May 08 16:09:41.002 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:09:41.002 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:09:41.017 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:09:41.080 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 16:09:41.267 CEST 2019: Number of Peaks: (31, 9)
Wed May 08 16:09:41.283 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 16:09:41.298 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:09:41.298 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:09:41.314 CEST 2019: Signal-to-Noise ratio: 142.50 (1.200 ppm)
Wed May 08 16:09:41.330 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:09:41.345 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:09:41.345 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Wed May 08 16:09:41.392 CEST 2019: Number of Multiplets: 72
Wed May 08 16:09:41.392 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 16:09:41.486 CEST 2019: Number of Peak Cluster: 15
Wed May 08 16:09:41.486 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 16:09:41.737 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.24 s.
Wed May 08 16:09:42.113 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 16:09:42.129 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:09:42.145 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:09:42.160 CEST 2019: Number of consistent PNS: 0
Wed May 08 16:09:42.160 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:09:42.192 CEST 2019: Number of consistent PNS: 35
Wed May 08 16:09:42.192 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:09:42.223 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 16:09:42.238 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:09:42.816 CEST 2019: Elapsed time for evaluation (BU Suite): 0.64 s.
Wed May 08 16:09:42.848 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:09:42.863 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 16:09:43.678 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Wed May 08 16:09:43.678 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:09:43.694 CEST 2019: CMC-q finished in 3.80 s.