Wed May 08 09:30:44.029 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:30:44.029 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_71\1\pdata\1
Wed May 08 09:30:44.045 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:30:44.060 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:30:44.076 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:30:44.092 CEST 2019: No HSQC data available
Wed May 08 09:30:44.107 CEST 2019: No C13 data available
Wed May 08 09:30:44.123 CEST 2019: No HMBC data available
Wed May 08 09:30:44.139 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:30:44.170 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:30:44.504 CEST 2019: Structure is used: true
Wed May 08 09:30:44.535 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_71/1/86.mol
Wed May 08 09:30:44.550 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.36 s.
Wed May 08 09:30:44.550 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:30:44.566 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:30:44.566 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:30:44.582 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:30:44.582 CEST 2019: Spectrum is suppressed.
Wed May 08 09:30:44.597 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:30:44.597 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:30:44.613 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:30:44.628 CEST 2019: Expected impurity: TSP
Wed May 08 09:30:44.628 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:30:44.644 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 09:30:44.644 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 09:30:44.660 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:30:44.660 CEST 2019: RMSD noise: 678.058 (-0.812/-1.312)
Wed May 08 09:30:44.675 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:30:44.675 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:30:44.691 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 09:30:44.738 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:30:44.958 CEST 2019: Number of Peaks: (78, 15)
Wed May 08 09:30:44.958 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 09:30:44.974 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:30:44.974 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:30:44.989 CEST 2019: Signal-to-Noise ratio: 614.54 (6.416 ppm)
Wed May 08 09:30:45.005 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:30:45.005 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:30:45.005 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 09:30:45.067 CEST 2019: Number of Multiplets: 148
Wed May 08 09:30:45.084 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 09:30:45.194 CEST 2019: Number of Peak Cluster: 24
Wed May 08 09:30:45.209 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 09:30:45.365 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Wed May 08 09:30:45.709 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 09:30:45.740 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:30:45.740 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:30:45.756 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:30:45.772 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:30:45.787 CEST 2019: Number of consistent PNS: 40
Wed May 08 09:30:45.787 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:30:45.818 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:30:45.818 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:30:47.008 CEST 2019: Elapsed time for evaluation (BU Suite): 1.24 s.
Wed May 08 09:30:47.024 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:30:47.040 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:30:47.605 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Wed May 08 09:30:47.621 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:30:47.637 CEST 2019: CMC-q finished in 3.61 s.
