Mon May 13 13:58:43.694 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:58:43.709 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B06\1\pdata\1
Mon May 13 13:58:43.734 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:58:43.749 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:58:43.761 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:58:43.779 CEST 2019: No HSQC data available
Mon May 13 13:58:43.809 CEST 2019: No C13 data available
Mon May 13 13:58:43.829 CEST 2019: No HMBC data available
Mon May 13 13:58:43.839 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:58:43.889 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:58:44.479 CEST 2019: Structure is used: true
Mon May 13 13:58:44.529 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B06/1/0110706029.mol
Mon May 13 13:58:44.539 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Mon May 13 13:58:44.559 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:58:44.569 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:58:44.579 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:58:44.589 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:58:44.599 CEST 2019: Spectrum is suppressed.
Mon May 13 13:58:44.609 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:58:44.619 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:58:44.629 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:58:44.639 CEST 2019: Expected impurity: TSP
Mon May 13 13:58:44.649 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:58:44.662 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 13:58:44.669 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 13:58:44.679 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 13:58:44.689 CEST 2019: RMSD noise: 690.299 (8.886/8.386)
Mon May 13 13:58:44.699 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:58:44.719 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:58:44.729 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:58:44.774 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 13:58:45.159 CEST 2019: Number of Peaks: (102, 16)
Mon May 13 13:58:45.182 CEST 2019: Elapsed time for evaluation (PP Suite): 0.40 s.
Mon May 13 13:58:45.192 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:58:45.202 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:58:45.213 CEST 2019: Signal-to-Noise ratio: 3189.24 (1.146 ppm)
Mon May 13 13:58:45.223 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:58:45.233 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:58:45.241 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.70 s.
Mon May 13 13:58:45.374 CEST 2019: Number of Multiplets: 194
Mon May 13 13:58:45.384 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.13 s.
Mon May 13 13:58:45.599 CEST 2019: Number of Peak Cluster: 35
Mon May 13 13:58:45.610 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.22 s.
Mon May 13 13:58:45.789 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Mon May 13 13:58:46.524 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.72 s.
Mon May 13 13:58:46.575 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.04 s.
Mon May 13 13:58:46.603 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 13:58:46.615 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:58:46.626 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:58:46.649 CEST 2019: Number of consistent PNS: 30
Mon May 13 13:58:46.659 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:58:46.749 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.08 s.
Mon May 13 13:58:46.759 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:58:48.709 CEST 2019: Elapsed time for evaluation (BU Suite): 2.08 s.
Mon May 13 13:58:48.739 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:58:48.749 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:58:49.459 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.73 s.
Mon May 13 13:58:49.469 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:58:49.479 CEST 2019: CMC-q finished in 5.79 s.
