Wed May 08 09:24:54.057 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:24:54.057 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_49\1\pdata\1
Wed May 08 09:24:54.088 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:24:54.088 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:24:54.104 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:24:54.135 CEST 2019: No HSQC data available
Wed May 08 09:24:54.151 CEST 2019: No C13 data available
Wed May 08 09:24:54.166 CEST 2019: No HMBC data available
Wed May 08 09:24:54.182 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:24:54.229 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:24:54.932 CEST 2019: Structure is used: true
Wed May 08 09:24:54.963 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_49/1/5.mol
Wed May 08 09:24:54.979 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.74 s.
Wed May 08 09:24:54.994 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:24:54.994 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:24:55.010 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:24:55.026 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:24:55.026 CEST 2019: Spectrum is suppressed.
Wed May 08 09:24:55.041 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 09:24:55.041 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:24:55.057 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:24:55.073 CEST 2019: Expected impurity: TSP
Wed May 08 09:24:55.073 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:24:55.088 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 09:24:55.088 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 09:24:55.104 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:24:55.104 CEST 2019: RMSD noise: 645.560 (10.704/10.204)
Wed May 08 09:24:55.119 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:24:55.119 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:24:55.135 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 09:24:55.182 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:24:55.385 CEST 2019: Number of Peaks: (62, 24)
Wed May 08 09:24:55.385 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Wed May 08 09:24:55.401 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:24:55.401 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:24:55.416 CEST 2019: Signal-to-Noise ratio: 1069.94 (1.370 ppm)
Wed May 08 09:24:55.416 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:24:55.432 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:24:55.432 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Wed May 08 09:24:55.479 CEST 2019: Number of Multiplets: 107
Wed May 08 09:24:55.494 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:24:55.572 CEST 2019: Number of Peak Cluster: 22
Wed May 08 09:24:55.588 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:24:55.651 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 09:24:56.010 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 09:24:56.041 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:24:56.041 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:24:56.057 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:24:56.057 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:24:56.088 CEST 2019: Number of consistent PNS: 45
Wed May 08 09:24:56.088 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:24:56.104 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:24:56.119 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:24:56.963 CEST 2019: Elapsed time for evaluation (BU Suite): 0.90 s.
Wed May 08 09:24:56.994 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:24:56.994 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:24:57.634 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Wed May 08 09:24:57.650 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:24:57.650 CEST 2019: CMC-q finished in 3.59 s.
