Mon May 06 23:26:03.026 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:26:03.042 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\66\pdata\1
Mon May 06 23:26:03.057 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:26:03.073 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:26:03.073 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:26:03.089 CEST 2019: No HSQC data available
Mon May 06 23:26:03.120 CEST 2019: No C13 data available
Mon May 06 23:26:03.136 CEST 2019: No HMBC data available
Mon May 06 23:26:03.151 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:26:03.206 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:26:04.114 CEST 2019: Structure is used: true
Mon May 06 23:26:04.145 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/66/F06.mol
Mon May 06 23:26:04.145 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.94 s.
Mon May 06 23:26:04.160 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:26:04.176 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:26:04.192 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:26:04.192 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:26:04.207 CEST 2019: Spectrum is suppressed.
Mon May 06 23:26:04.223 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:26:04.223 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:26:04.239 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:26:04.244 CEST 2019: Expected impurity: TSP
Mon May 06 23:26:04.260 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:26:04.275 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 23:26:04.275 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 23:26:04.291 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:26:04.307 CEST 2019: RMSD noise: 666.290 (-0.812/-1.312)
Mon May 06 23:26:04.307 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:26:04.322 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:26:04.338 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:26:04.369 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:26:04.527 CEST 2019: Number of Peaks: (25, 8)
Mon May 06 23:26:04.538 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 06 23:26:04.539 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:26:04.555 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:26:04.555 CEST 2019: Signal-to-Noise ratio: 69.08 (3.270 ppm)
Mon May 06 23:26:04.570 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:26:04.586 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:26:04.586 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 06 23:26:04.617 CEST 2019: Number of Multiplets: 46
Mon May 06 23:26:04.633 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 06 23:26:04.695 CEST 2019: Number of Peak Cluster: 14
Mon May 06 23:26:04.711 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:26:04.759 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 06 23:26:05.087 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Mon May 06 23:26:05.103 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:26:05.103 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:26:05.118 CEST 2019: Number of consistent PNS: 0
Mon May 06 23:26:05.134 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:26:05.150 CEST 2019: Number of consistent PNS: 30
Mon May 06 23:26:05.165 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:26:05.181 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:26:05.181 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:26:05.587 CEST 2019: Elapsed time for evaluation (BU Suite): 0.45 s.
Mon May 06 23:26:05.649 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:26:05.649 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 23:26:06.352 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Mon May 06 23:26:06.352 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:26:06.368 CEST 2019: CMC-q finished in 3.34 s.
