Mon May 06 22:41:56.198 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:41:56.198 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\15\pdata\1
Mon May 06 22:41:56.229 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:41:56.229 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:41:56.245 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:41:56.260 CEST 2019: No HSQC data available
Mon May 06 22:41:56.292 CEST 2019: No C13 data available
Mon May 06 22:41:56.307 CEST 2019: No HMBC data available
Mon May 06 22:41:56.323 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:41:56.377 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:41:56.988 CEST 2019: Structure is used: true
Mon May 06 22:41:57.019 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/15/B03.mol
Mon May 06 22:41:57.019 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Mon May 06 22:41:57.035 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:41:57.050 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:41:57.066 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:41:57.066 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:41:57.081 CEST 2019: Spectrum is suppressed.
Mon May 06 22:41:57.097 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:41:57.097 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:41:57.113 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:41:57.128 CEST 2019: Expected impurity: TSP
Mon May 06 22:41:57.128 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:41:57.144 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 22:41:57.160 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 22:41:57.160 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:41:57.175 CEST 2019: RMSD noise: 660.656 (5.856/5.357)
Mon May 06 22:41:57.191 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:41:57.191 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:41:57.206 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:41:57.253 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:41:57.628 CEST 2019: Number of Peaks: (97, 28)
Mon May 06 22:41:57.644 CEST 2019: Elapsed time for evaluation (PP Suite): 0.37 s.
Mon May 06 22:41:57.644 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:41:57.659 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:41:57.659 CEST 2019: Signal-to-Noise ratio: 5912.72 (3.327 ppm)
Mon May 06 22:41:57.675 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:41:57.691 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:41:57.691 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.67 s.
Mon May 06 22:41:57.941 CEST 2019: Number of Multiplets: 262
Mon May 06 22:41:57.972 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.27 s.
Mon May 06 22:41:58.128 CEST 2019: Number of Peak Cluster: 19
Mon May 06 22:41:58.144 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon May 06 22:41:58.316 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 22:41:58.940 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.62 s.
Mon May 06 22:41:58.972 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 22:41:58.987 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:41:59.018 CEST 2019: Number of consistent PNS: 10
Mon May 06 22:41:59.036 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 06 22:41:59.051 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:42:09.862 CEST 2019: Number of ASL: 135
Mon May 06 22:42:09.878 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.81 s.
Mon May 06 22:42:11.331 CEST 2019: Elapsed time for evaluation (IN Suite): 1.44 s.
Mon May 06 22:42:11.488 CEST 2019: Elapsed time for evaluation (BU Suite): 0.14 s.
Mon May 06 22:42:11.519 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 22:42:11.519 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 06 22:42:12.300 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 06 22:42:12.315 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:42:12.315 CEST 2019: CMC-q finished in 16.12 s.
