Mon May 13 13:57:52.799 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:57:52.814 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B03\1\pdata\1
Mon May 13 13:57:52.839 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:57:52.849 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:57:52.859 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:57:52.884 CEST 2019: No HSQC data available
Mon May 13 13:57:52.909 CEST 2019: No C13 data available
Mon May 13 13:57:52.929 CEST 2019: No HMBC data available
Mon May 13 13:57:52.939 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:57:52.989 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:57:53.649 CEST 2019: Structure is used: true
Mon May 13 13:57:53.689 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B03/1/0110706026.mol
Mon May 13 13:57:53.699 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.69 s.
Mon May 13 13:57:53.709 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:57:53.724 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:57:53.729 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:57:53.739 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:57:53.749 CEST 2019: Spectrum is suppressed.
Mon May 13 13:57:53.759 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:57:53.774 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:57:53.785 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:57:53.799 CEST 2019: Expected impurity: TSP
Mon May 13 13:57:53.804 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:57:53.809 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 13:57:53.824 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 13:57:53.834 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:57:53.839 CEST 2019: RMSD noise: 628.963 (-0.812/-1.312)
Mon May 13 13:57:53.849 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:57:53.859 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:57:53.879 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:57:53.919 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:57:54.549 CEST 2019: Number of Peaks: (147, 55)
Mon May 13 13:57:54.564 CEST 2019: Elapsed time for evaluation (PP Suite): 0.64 s.
Mon May 13 13:57:54.574 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:57:54.584 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:57:54.594 CEST 2019: Signal-to-Noise ratio: 1337.93 (1.141 ppm)
Mon May 13 13:57:54.599 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:57:54.614 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:57:54.619 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.92 s.
Mon May 13 13:57:56.311 CEST 2019: Number of Multiplets: 464
Mon May 13 13:57:56.342 CEST 2019: Elapsed time for evaluation (MMG Suite): 1.71 s.
Mon May 13 13:57:56.640 CEST 2019: Number of Peak Cluster: 25
Mon May 13 13:57:56.650 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.30 s.
Mon May 13 13:57:56.889 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.22 s.
Mon May 13 13:57:57.840 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.94 s.
Mon May 13 13:57:57.871 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 13 13:57:57.881 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 13 13:57:57.901 CEST 2019: Number of consistent PNS: 1
Mon May 13 13:57:57.911 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:57:57.944 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 13:58:02.734 CEST 2019: Number of ASL: 201
Mon May 13 13:58:02.749 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.80 s.
Mon May 13 13:58:07.156 CEST 2019: Elapsed time for evaluation (IN Suite): 4.39 s.
Mon May 13 13:58:07.185 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:58:07.969 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Mon May 13 13:58:07.979 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:58:07.989 CEST 2019: CMC-q finished in 15.19 s.
