Mon May 13 13:33:33.662 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:33:33.672 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_D01\1\pdata\1
Mon May 13 13:33:33.692 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:33:33.702 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:33:33.712 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:33:33.732 CEST 2019: No HSQC data available
Mon May 13 13:33:33.752 CEST 2019: No C13 data available
Mon May 13 13:33:33.762 CEST 2019: No HMBC data available
Mon May 13 13:33:33.772 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:33:33.822 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:33:34.272 CEST 2019: Structure is used: true
Mon May 13 13:33:34.302 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_D01/1/0110705808.mol
Mon May 13 13:33:34.312 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.48 s.
Mon May 13 13:33:34.322 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:33:34.332 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:33:34.342 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:33:34.344 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:33:34.352 CEST 2019: Spectrum is suppressed.
Mon May 13 13:33:34.362 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:33:34.372 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:33:34.382 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:33:34.392 CEST 2019: Expected impurity: TSP
Mon May 13 13:33:34.402 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:33:34.402 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 13:33:34.412 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 13:33:34.422 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:33:34.432 CEST 2019: RMSD noise: 712.484 (6.462/5.963)
Mon May 13 13:33:34.445 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:33:34.452 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:33:34.462 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:33:34.502 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:33:34.672 CEST 2019: Number of Peaks: (42, 26)
Mon May 13 13:33:34.682 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Mon May 13 13:33:34.682 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:33:34.692 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:33:34.702 CEST 2019: Signal-to-Noise ratio: 4652.58 (3.653 ppm)
Mon May 13 13:33:34.712 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:33:34.722 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:33:34.732 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.41 s.
Mon May 13 13:33:34.767 CEST 2019: Number of Multiplets: 91
Mon May 13 13:33:34.772 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:33:34.852 CEST 2019: Number of Peak Cluster: 16
Mon May 13 13:33:34.862 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:33:34.945 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 13 13:33:35.282 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon May 13 13:33:35.322 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:33:35.332 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:33:35.346 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:33:35.352 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:33:35.362 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:33:41.332 CEST 2019: Number of ASL: 150
Mon May 13 13:33:41.352 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.98 s.
Mon May 13 13:33:42.032 CEST 2019: Elapsed time for evaluation (IN Suite): 0.68 s.
Mon May 13 13:33:42.055 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:33:42.062 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:33:42.672 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Mon May 13 13:33:42.682 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:33:42.692 CEST 2019: CMC-q finished in 9.03 s.
