Mon May 06 22:44:06.418 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:44:06.418 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\21\pdata\1
Mon May 06 22:44:06.449 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:44:06.465 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:44:06.465 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:44:06.496 CEST 2019: No HSQC data available
Mon May 06 22:44:06.512 CEST 2019: No C13 data available
Mon May 06 22:44:06.543 CEST 2019: No HMBC data available
Mon May 06 22:44:06.543 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:44:06.603 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:44:06.916 CEST 2019: Structure is used: true
Mon May 06 22:44:06.948 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/21/B09.mol
Mon May 06 22:44:06.963 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.35 s.
Mon May 06 22:44:06.979 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:44:06.995 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:44:06.995 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:44:07.010 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:44:07.026 CEST 2019: Spectrum is suppressed.
Mon May 06 22:44:07.026 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:44:07.041 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:44:07.041 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:44:07.057 CEST 2019: Expected impurity: TSP
Mon May 06 22:44:07.073 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:44:07.073 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 22:44:07.088 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 22:44:07.104 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:44:07.104 CEST 2019: RMSD noise: 686.496 (2.221/1.721)
Mon May 06 22:44:07.119 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:44:07.135 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:44:07.135 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:44:07.182 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:44:07.338 CEST 2019: Number of Peaks: (33, 10)
Mon May 06 22:44:07.338 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon May 06 22:44:07.354 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:44:07.369 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:44:07.369 CEST 2019: Signal-to-Noise ratio: 221.42 (1.254 ppm)
Mon May 06 22:44:07.385 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:44:07.385 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:44:07.401 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 06 22:44:07.432 CEST 2019: Number of Multiplets: 59
Mon May 06 22:44:07.432 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 06 22:44:07.494 CEST 2019: Number of Peak Cluster: 16
Mon May 06 22:44:07.510 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 06 22:44:07.558 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 06 22:44:07.903 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon May 06 22:44:07.935 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 22:44:07.950 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:44:07.966 CEST 2019: Number of consistent PNS: 0
Mon May 06 22:44:07.981 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 22:44:07.997 CEST 2019: Number of consistent PNS: 30
Mon May 06 22:44:07.997 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:44:08.013 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:44:08.028 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:44:08.936 CEST 2019: Elapsed time for evaluation (BU Suite): 0.95 s.
Mon May 06 22:44:08.967 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:44:08.967 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 06 22:44:09.765 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Mon May 06 22:44:09.780 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:44:09.780 CEST 2019: CMC-q finished in 3.36 s.
