Mon May 13 13:42:35.731 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:42:35.741 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_F10\1\pdata\1
Mon May 13 13:42:35.761 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:42:35.771 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:42:35.781 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:42:35.801 CEST 2019: No HSQC data available
Mon May 13 13:42:35.821 CEST 2019: No C13 data available
Mon May 13 13:42:35.831 CEST 2019: No HMBC data available
Mon May 13 13:42:35.841 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:42:35.881 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:42:36.356 CEST 2019: Structure is used: true
Mon May 13 13:42:36.381 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_F10/1/0110705793.mol
Mon May 13 13:42:36.391 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Mon May 13 13:42:36.404 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:42:36.411 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:42:36.421 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:42:36.431 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:42:36.431 CEST 2019: Spectrum is suppressed.
Mon May 13 13:42:36.441 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:42:36.451 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:42:36.461 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:42:36.471 CEST 2019: Expected impurity: TSP
Mon May 13 13:42:36.481 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:42:36.481 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 13:42:36.491 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 13:42:36.504 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Mon May 13 13:42:36.511 CEST 2019: RMSD noise: 687.951 (8.280/7.780)
Mon May 13 13:42:36.511 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:42:36.521 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:42:36.531 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:42:36.571 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:42:36.801 CEST 2019: Number of Peaks: (65, 21)
Mon May 13 13:42:36.805 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Mon May 13 13:42:36.811 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:42:36.821 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:42:36.831 CEST 2019: Signal-to-Noise ratio: 4241.71 (2.055 ppm)
Mon May 13 13:42:36.841 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:42:36.851 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:42:36.851 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 13 13:42:36.936 CEST 2019: Number of Multiplets: 162
Mon May 13 13:42:36.941 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon May 13 13:42:37.311 CEST 2019: Number of Peak Cluster: 20
Mon May 13 13:42:37.321 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.37 s.
Mon May 13 13:42:37.471 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Mon May 13 13:42:37.911 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.44 s.
Mon May 13 13:42:37.956 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:42:37.961 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:42:37.981 CEST 2019: Number of consistent PNS: 5
Mon May 13 13:42:37.991 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:42:38.006 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:42:41.446 CEST 2019: Number of ASL: 36
Mon May 13 13:42:41.451 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.44 s.
Mon May 13 13:42:42.071 CEST 2019: Elapsed time for evaluation (IN Suite): 0.61 s.
Mon May 13 13:42:42.091 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:42:42.101 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:42:42.651 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.57 s.
Mon May 13 13:42:42.661 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:42:42.671 CEST 2019: CMC-q finished in 6.94 s.
