Mon May 06 23:11:07.055 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:11:07.070 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\9\pdata\1
Mon May 06 23:11:07.086 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:11:07.101 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:11:07.117 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:11:07.133 CEST 2019: No HSQC data available
Mon May 06 23:11:07.164 CEST 2019: No C13 data available
Mon May 06 23:11:07.179 CEST 2019: No HMBC data available
Mon May 06 23:11:07.196 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:11:07.243 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:11:07.963 CEST 2019: Structure is used: true
Mon May 06 23:11:07.995 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/9/A09.mol
Mon May 06 23:11:07.995 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.75 s.
Mon May 06 23:11:08.026 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:11:08.026 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:11:08.041 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:11:08.041 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:11:08.057 CEST 2019: Spectrum is suppressed.
Mon May 06 23:11:08.073 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:11:08.073 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:11:08.088 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:11:08.104 CEST 2019: Expected impurity: TSP
Mon May 06 23:11:08.119 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:11:08.119 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 06 23:11:08.135 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 06 23:11:08.135 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:11:08.151 CEST 2019: RMSD noise: 697.191 (10.704/10.204)
Mon May 06 23:11:08.166 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:11:08.166 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:11:08.182 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:11:08.229 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:11:08.510 CEST 2019: Number of Peaks: (55, 13)
Mon May 06 23:11:08.541 CEST 2019: Elapsed time for evaluation (PP Suite): 0.30 s.
Mon May 06 23:11:08.541 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:11:08.558 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:11:08.558 CEST 2019: Signal-to-Noise ratio: 3323.26 (1.135 ppm)
Mon May 06 23:11:08.574 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:11:08.589 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:11:08.605 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Mon May 06 23:11:08.683 CEST 2019: Number of Multiplets: 109
Mon May 06 23:11:08.683 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 06 23:11:08.794 CEST 2019: Number of Peak Cluster: 16
Mon May 06 23:11:08.809 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 06 23:11:09.018 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.21 s.
Mon May 06 23:11:09.519 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.48 s.
Mon May 06 23:11:09.550 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 23:11:09.566 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:11:09.581 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:11:09.597 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:11:09.597 CEST 2019: Number of consistent PNS: 15
Mon May 06 23:11:09.612 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:11:09.644 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 06 23:11:09.659 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:11:10.381 CEST 2019: Elapsed time for evaluation (BU Suite): 0.79 s.
Mon May 06 23:11:10.412 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:11:10.427 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:11:11.099 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.70 s.
Mon May 06 23:11:11.130 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:11:11.130 CEST 2019: CMC-q finished in 4.08 s.
