Mon May 13 13:31:04.492 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:31:04.502 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_C02\1\pdata\1
Mon May 13 13:31:04.523 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:31:04.532 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:31:04.542 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:31:04.562 CEST 2019: No HSQC data available
Mon May 13 13:31:04.582 CEST 2019: No C13 data available
Mon May 13 13:31:04.592 CEST 2019: No HMBC data available
Mon May 13 13:31:04.602 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:31:04.642 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:31:05.042 CEST 2019: Structure is used: true
Mon May 13 13:31:05.062 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_C02/1/0110705830.mol
Mon May 13 13:31:05.072 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.42 s.
Mon May 13 13:31:05.092 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:31:05.092 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:31:05.102 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:31:05.112 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:31:05.123 CEST 2019: Spectrum is suppressed.
Mon May 13 13:31:05.132 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:31:05.142 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:31:05.142 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:31:05.162 CEST 2019: Expected impurity: TSP
Mon May 13 13:31:05.162 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:31:05.172 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 13:31:05.182 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 13:31:05.192 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:31:05.202 CEST 2019: RMSD noise: 672.414 (10.704/10.204)
Mon May 13 13:31:05.202 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:31:05.222 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:31:05.232 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:31:05.272 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:31:05.482 CEST 2019: Number of Peaks: (75, 12)
Mon May 13 13:31:05.492 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 13:31:05.502 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:31:05.512 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:31:05.522 CEST 2019: Signal-to-Noise ratio: 5373.07 (2.128 ppm)
Mon May 13 13:31:05.524 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:31:05.532 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:31:05.542 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 13 13:31:05.602 CEST 2019: Number of Multiplets: 147
Mon May 13 13:31:05.612 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 13:31:05.724 CEST 2019: Number of Peak Cluster: 21
Mon May 13 13:31:05.732 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 13:31:05.892 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 13 13:31:06.312 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Mon May 13 13:31:06.352 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:31:06.362 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:31:06.372 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:31:06.382 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:31:06.392 CEST 2019: Number of consistent PNS: 20
Mon May 13 13:31:06.402 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:31:06.432 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 13:31:06.442 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:31:07.987 CEST 2019: Elapsed time for evaluation (BU Suite): 1.60 s.
Mon May 13 13:31:08.012 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:31:08.012 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:31:08.572 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.58 s.
Mon May 13 13:31:08.582 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:31:08.582 CEST 2019: CMC-q finished in 4.09 s.
