Mon May 13 13:35:53.631 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:35:53.641 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_D08\1\pdata\1
Mon May 13 13:35:53.662 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:35:53.672 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:35:53.682 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:35:53.702 CEST 2019: No HSQC data available
Mon May 13 13:35:53.712 CEST 2019: No C13 data available
Mon May 13 13:35:53.732 CEST 2019: No HMBC data available
Mon May 13 13:35:53.742 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:35:53.782 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:35:54.042 CEST 2019: Structure is used: true
Mon May 13 13:35:54.072 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_D08/1/0110705815.mol
Mon May 13 13:35:54.072 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.29 s.
Mon May 13 13:35:54.092 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:35:54.102 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:35:54.102 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:35:54.112 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:35:54.122 CEST 2019: Spectrum is suppressed.
Mon May 13 13:35:54.132 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:35:54.132 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:35:54.142 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:35:54.152 CEST 2019: Expected impurity: TSP
Mon May 13 13:35:54.162 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:35:54.172 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 13:35:54.182 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 13:35:54.182 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Mon May 13 13:35:54.192 CEST 2019: RMSD noise: 666.167 (-0.812/-1.312)
Mon May 13 13:35:54.202 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:35:54.212 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:35:54.222 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:35:54.251 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:35:54.372 CEST 2019: Number of Peaks: (26, 8)
Mon May 13 13:35:54.382 CEST 2019: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon May 13 13:35:54.392 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:35:54.400 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:35:54.402 CEST 2019: Signal-to-Noise ratio: 2950.31 (1.506 ppm)
Mon May 13 13:35:54.412 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:35:54.421 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:35:54.432 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.35 s.
Mon May 13 13:35:54.452 CEST 2019: Number of Multiplets: 38
Mon May 13 13:35:54.452 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 13 13:35:54.512 CEST 2019: Number of Peak Cluster: 11
Mon May 13 13:35:54.521 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon May 13 13:35:54.541 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon May 13 13:35:54.862 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Mon May 13 13:35:54.882 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:35:54.900 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:35:54.902 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:35:54.912 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:35:54.922 CEST 2019: Number of consistent PNS: 15
Mon May 13 13:35:54.932 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:35:54.942 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:35:54.952 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:35:55.402 CEST 2019: Elapsed time for evaluation (BU Suite): 0.48 s.
Mon May 13 13:35:55.422 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:35:55.434 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:35:55.962 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.55 s.
Mon May 13 13:35:55.972 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:35:55.972 CEST 2019: CMC-q finished in 2.34 s.
