Mon May 13 13:34:29.182 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:34:29.182 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_D03\1\pdata\1
Mon May 13 13:34:29.202 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:34:29.212 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:34:29.222 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:34:29.242 CEST 2019: No HSQC data available
Mon May 13 13:34:29.262 CEST 2019: No C13 data available
Mon May 13 13:34:29.282 CEST 2019: No HMBC data available
Mon May 13 13:34:29.292 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:34:29.332 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:34:29.747 CEST 2019: Structure is used: true
Mon May 13 13:34:29.782 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_D03/1/0110705810.mol
Mon May 13 13:34:29.782 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Mon May 13 13:34:29.803 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:34:29.812 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:34:29.822 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:34:29.832 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:34:29.840 CEST 2019: Spectrum is suppressed.
Mon May 13 13:34:29.842 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:34:29.852 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:34:29.862 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:34:29.872 CEST 2019: Expected impurity: TSP
Mon May 13 13:34:29.882 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:34:29.882 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 13:34:29.892 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 13:34:29.902 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:34:29.912 CEST 2019: RMSD noise: 726.528 (5.856/5.357)
Mon May 13 13:34:29.922 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:34:29.922 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:34:29.932 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:34:29.972 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:34:30.152 CEST 2019: Number of Peaks: (34, 20)
Mon May 13 13:34:30.172 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:34:30.182 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:34:30.192 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:34:30.202 CEST 2019: Signal-to-Noise ratio: 1770.51 (7.302 ppm)
Mon May 13 13:34:30.202 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:34:30.212 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:34:30.222 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:34:30.262 CEST 2019: Number of Multiplets: 73
Mon May 13 13:34:30.267 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:34:30.322 CEST 2019: Number of Peak Cluster: 13
Mon May 13 13:34:30.332 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:34:30.372 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Mon May 13 13:34:30.687 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Mon May 13 13:34:30.692 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:34:30.702 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:34:30.722 CEST 2019: Number of consistent PNS: 1
Mon May 13 13:34:30.732 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:34:30.742 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:34:34.282 CEST 2019: Number of ASL: 56
Mon May 13 13:34:34.302 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.55 s.
Mon May 13 13:34:34.962 CEST 2019: Elapsed time for evaluation (IN Suite): 0.65 s.
Mon May 13 13:34:34.982 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:34:34.992 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:34:35.672 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.70 s.
Mon May 13 13:34:35.672 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:34:35.682 CEST 2019: CMC-q finished in 6.50 s.
