Wed May 08 12:06:44.650 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:06:44.650 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_49\1\pdata\1
Wed May 08 12:06:44.681 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:06:44.697 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:06:44.697 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:06:44.728 CEST 2019: No HSQC data available
Wed May 08 12:06:44.761 CEST 2019: No C13 data available
Wed May 08 12:06:44.792 CEST 2019: No HMBC data available
Wed May 08 12:06:44.808 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:06:44.879 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 12:06:45.802 CEST 2019: Structure is used: true
Wed May 08 12:06:45.849 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_49/1/E01.mol
Wed May 08 12:06:45.865 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.97 s.
Wed May 08 12:06:45.897 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:06:45.913 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:06:45.913 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:06:45.928 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:06:45.928 CEST 2019: Spectrum is suppressed.
Wed May 08 12:06:45.944 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:06:45.959 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:06:45.959 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:06:45.975 CEST 2019: Expected impurity: TSP
Wed May 08 12:06:45.991 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:06:45.991 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 12:06:46.008 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 12:06:46.008 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:06:46.023 CEST 2019: RMSD noise: 629.712 (-0.812/-1.312)
Wed May 08 12:06:46.039 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:06:46.039 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:06:46.054 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:06:46.101 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:06:46.523 CEST 2019: Number of Peaks: (85, 21)
Wed May 08 12:06:46.523 CEST 2019: Elapsed time for evaluation (PP Suite): 0.42 s.
Wed May 08 12:06:46.539 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:06:46.554 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:06:46.554 CEST 2019: Signal-to-Noise ratio: 1594.19 (7.434 ppm)
Wed May 08 12:06:46.570 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:06:46.586 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:06:46.586 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.72 s.
Wed May 08 12:06:46.695 CEST 2019: Number of Multiplets: 141
Wed May 08 12:06:46.711 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.12 s.
Wed May 08 12:06:46.867 CEST 2019: Number of Peak Cluster: 20
Wed May 08 12:06:46.867 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.13 s.
Wed May 08 12:06:46.976 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Wed May 08 12:06:47.632 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.65 s.
Wed May 08 12:06:47.663 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 12:06:47.679 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:06:47.710 CEST 2019: Number of consistent PNS: 0
Wed May 08 12:06:47.710 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:06:47.726 CEST 2019: Number of consistent PNS: 25
Wed May 08 12:06:47.742 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:06:47.773 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 12:06:47.788 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:06:50.164 CEST 2019: Elapsed time for evaluation (BU Suite): 2.44 s.
Wed May 08 12:06:50.211 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 12:06:50.211 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 12:06:50.931 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Wed May 08 12:06:50.947 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:06:50.962 CEST 2019: CMC-q finished in 6.31 s.
