Mon May 13 13:38:59.031 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:38:59.041 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_E07\1\pdata\1
Mon May 13 13:38:59.061 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:38:59.071 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:38:59.082 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:38:59.091 CEST 2019: No HSQC data available
Mon May 13 13:38:59.112 CEST 2019: No C13 data available
Mon May 13 13:38:59.136 CEST 2019: No HMBC data available
Mon May 13 13:38:59.142 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:38:59.182 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:38:59.551 CEST 2019: Structure is used: true
Mon May 13 13:38:59.581 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_E07/1/0110705801.mol
Mon May 13 13:38:59.591 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.40 s.
Mon May 13 13:38:59.612 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:38:59.612 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:38:59.622 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:38:59.632 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:38:59.641 CEST 2019: Spectrum is suppressed.
Mon May 13 13:38:59.651 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:38:59.651 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:38:59.661 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:38:59.672 CEST 2019: Expected impurity: TSP
Mon May 13 13:38:59.681 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:38:59.691 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]
Mon May 13 13:38:59.702 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]
Mon May 13 13:38:59.711 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:38:59.711 CEST 2019: RMSD noise: 703.037 (0.403/-0.097)
Mon May 13 13:38:59.721 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:38:59.737 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:38:59.741 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:38:59.781 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:38:59.921 CEST 2019: Number of Peaks: (32, 7)
Mon May 13 13:38:59.931 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 13 13:38:59.941 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:38:59.941 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:38:59.951 CEST 2019: Signal-to-Noise ratio: 243.93 (3.270 ppm)
Mon May 13 13:38:59.961 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:38:59.971 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:38:59.982 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Mon May 13 13:39:00.002 CEST 2019: Number of Multiplets: 46
Mon May 13 13:39:00.011 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 13 13:39:00.071 CEST 2019: Number of Peak Cluster: 15
Mon May 13 13:39:00.081 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:39:00.121 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:39:00.441 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Mon May 13 13:39:00.471 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:39:00.481 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:39:00.491 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:39:00.501 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:39:00.511 CEST 2019: Number of consistent PNS: 20
Mon May 13 13:39:00.521 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:39:00.532 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:39:00.542 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:39:01.121 CEST 2019: Elapsed time for evaluation (BU Suite): 0.62 s.
Mon May 13 13:39:01.141 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:39:01.151 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:39:01.742 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Mon May 13 13:39:01.751 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:39:01.771 CEST 2019: CMC-q finished in 2.74 s.
