Mon May 06 22:37:24.641 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:37:24.657 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\3\pdata\1
Mon May 06 22:37:24.672 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:37:24.688 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:37:24.699 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:37:24.716 CEST 2019: No HSQC data available
Mon May 06 22:37:24.732 CEST 2019: No C13 data available
Mon May 06 22:37:24.763 CEST 2019: No HMBC data available
Mon May 06 22:37:24.763 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:37:24.825 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:37:25.311 CEST 2019: Structure is used: true
Mon May 06 22:37:25.342 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/3/A03.mol
Mon May 06 22:37:25.358 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Mon May 06 22:37:25.374 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:37:25.374 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:37:25.389 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:37:25.406 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:37:25.406 CEST 2019: Spectrum is suppressed.
Mon May 06 22:37:25.422 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:37:25.438 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:37:25.438 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:37:25.453 CEST 2019: Expected impurity: TSP
Mon May 06 22:37:25.469 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:37:25.469 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 22:37:25.485 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 22:37:25.500 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:37:25.500 CEST 2019: RMSD noise: 680.858 (10.098/9.598)
Mon May 06 22:37:25.516 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:37:25.531 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:37:25.531 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:37:25.578 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:37:25.861 CEST 2019: Number of Peaks: (78, 10)
Mon May 06 22:37:25.876 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Mon May 06 22:37:25.876 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:37:25.892 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:37:25.908 CEST 2019: Signal-to-Noise ratio: 4556.08 (3.039 ppm)
Mon May 06 22:37:25.908 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:37:25.923 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:37:25.939 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Mon May 06 22:37:26.001 CEST 2019: Number of Multiplets: 136
Mon May 06 22:37:26.001 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 06 22:37:26.173 CEST 2019: Number of Peak Cluster: 30
Mon May 06 22:37:26.173 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon May 06 22:37:26.369 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Mon May 06 22:37:26.824 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Mon May 06 22:37:26.871 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:37:26.887 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 22:37:26.918 CEST 2019: Number of consistent PNS: 6
Mon May 06 22:37:26.918 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:37:26.934 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:37:29.687 CEST 2019: Number of ASL: 40
Mon May 06 22:37:29.703 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 2.76 s.
Mon May 06 22:37:30.015 CEST 2019: Elapsed time for evaluation (IN Suite): 0.29 s.
Mon May 06 22:37:30.031 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:37:30.047 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:37:30.765 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.74 s.
Mon May 06 22:37:30.781 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:37:30.797 CEST 2019: CMC-q finished in 6.16 s.
