Mon May 13 13:26:36.293 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:26:36.293 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_A08\1\pdata\1
Mon May 13 13:26:36.313 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:26:36.323 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:26:36.333 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:26:36.353 CEST 2019: No HSQC data available
Mon May 13 13:26:36.373 CEST 2019: No C13 data available
Mon May 13 13:26:36.393 CEST 2019: No HMBC data available
Mon May 13 13:26:36.403 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:26:36.443 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:26:36.893 CEST 2019: Structure is used: true
Mon May 13 13:26:36.913 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_A08/1/0110705848.mol
Mon May 13 13:26:36.923 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.47 s.
Mon May 13 13:26:36.943 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:26:36.953 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:26:36.953 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:26:36.970 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:26:36.973 CEST 2019: Spectrum is suppressed.
Mon May 13 13:26:36.983 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:26:36.993 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:26:37.003 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:26:37.018 CEST 2019: Expected impurity: TSP
Mon May 13 13:26:37.028 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:26:37.038 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 13:26:37.044 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 13:26:37.053 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:26:37.063 CEST 2019: RMSD noise: 693.416 (8.886/8.386)
Mon May 13 13:26:37.073 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:26:37.083 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:26:37.093 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:26:37.123 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:26:37.513 CEST 2019: Number of Peaks: (65, 38)
Mon May 13 13:26:37.523 CEST 2019: Elapsed time for evaluation (PP Suite): 0.39 s.
Mon May 13 13:26:37.533 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:26:37.533 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:26:37.543 CEST 2019: Signal-to-Noise ratio: 294.31 (1.852 ppm)
Mon May 13 13:26:37.553 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:26:37.563 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:26:37.573 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.64 s.
Mon May 13 13:26:38.233 CEST 2019: Number of Multiplets: 236
Mon May 13 13:26:38.253 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.67 s.
Mon May 13 13:26:38.363 CEST 2019: Number of Peak Cluster: 9
Mon May 13 13:26:38.373 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 13:26:38.513 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 13 13:26:39.273 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.76 s.
Mon May 13 13:26:39.283 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:26:39.303 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:26:39.313 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:26:39.323 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:26:39.443 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.11 s.
Mon May 13 13:26:39.773 CEST 2019: Number of ASL: 4
Mon May 13 13:26:39.773 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.32 s.
Mon May 13 13:26:41.474 CEST 2019: Elapsed time for evaluation (IN Suite): 1.68 s.
Mon May 13 13:26:41.493 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:26:42.103 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Mon May 13 13:26:42.113 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:26:42.123 CEST 2019: CMC-q finished in 5.83 s.
