Mon May 13 13:58:29.759 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:58:29.769 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B05\1\pdata\1
Mon May 13 13:58:29.789 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:58:29.799 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:58:29.809 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:58:29.829 CEST 2019: No HSQC data available
Mon May 13 13:58:29.859 CEST 2019: No C13 data available
Mon May 13 13:58:29.884 CEST 2019: No HMBC data available
Mon May 13 13:58:29.889 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:58:29.949 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:58:30.364 CEST 2019: Structure is used: true
Mon May 13 13:58:30.409 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B05/1/0110706028.mol
Mon May 13 13:58:30.429 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Mon May 13 13:58:30.449 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:58:30.459 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:58:30.469 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:58:30.479 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:58:30.489 CEST 2019: Spectrum is suppressed.
Mon May 13 13:58:30.499 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:58:30.509 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:58:30.519 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:58:30.539 CEST 2019: Expected impurity: TSP
Mon May 13 13:58:30.549 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:58:30.559 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 13:58:30.569 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 13:58:30.579 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 13 13:58:30.589 CEST 2019: RMSD noise: 746.230 (10.098/9.598)
Mon May 13 13:58:30.599 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:58:30.609 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:58:30.619 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:58:30.669 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 13:58:30.901 CEST 2019: Number of Peaks: (63, 8)
Mon May 13 13:58:30.911 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Mon May 13 13:58:30.919 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:58:30.929 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:58:30.949 CEST 2019: Signal-to-Noise ratio: 4925.18 (1.151 ppm)
Mon May 13 13:58:30.959 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:58:30.969 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:58:30.979 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Mon May 13 13:58:31.039 CEST 2019: Number of Multiplets: 103
Mon May 13 13:58:31.049 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 13:58:31.169 CEST 2019: Number of Peak Cluster: 18
Mon May 13 13:58:31.179 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 13:58:31.284 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Mon May 13 13:58:31.749 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Mon May 13 13:58:31.799 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:58:31.813 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:58:31.829 CEST 2019: Number of consistent PNS: 1
Mon May 13 13:58:31.839 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:58:31.849 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:58:31.879 CEST 2019: Number of ASL: 2
Mon May 13 13:58:31.894 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon May 13 13:58:31.913 CEST 2019: Elapsed time for evaluation (IN Suite): 0.01 s.
Mon May 13 13:58:33.431 CEST 2019: Elapsed time for evaluation (BU Suite): 1.51 s.
Mon May 13 13:58:33.461 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:58:33.469 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 13:58:34.229 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 13 13:58:34.239 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:58:34.249 CEST 2019: CMC-q finished in 4.49 s.
