Wed May 08 11:18:39.755 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:18:39.755 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_58\1\pdata\1
Wed May 08 11:18:39.787 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:18:39.802 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:18:39.802 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:18:39.865 CEST 2019: No HSQC data available
Wed May 08 11:18:39.896 CEST 2019: No C13 data available
Wed May 08 11:18:39.943 CEST 2019: No HMBC data available
Wed May 08 11:18:39.959 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:18:40.005 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:18:40.507 CEST 2019: Structure is used: true
Wed May 08 11:18:40.538 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_58/1/E10.mol
Wed May 08 11:18:40.553 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.53 s.
Wed May 08 11:18:40.590 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:18:40.605 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:18:40.605 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:18:40.621 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:18:40.621 CEST 2019: Spectrum is suppressed.
Wed May 08 11:18:40.637 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:18:40.652 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:18:40.652 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:18:40.668 CEST 2019: Expected impurity: TSP
Wed May 08 11:18:40.683 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:18:40.699 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]
Wed May 08 11:18:40.699 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]
Wed May 08 11:18:40.715 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:18:40.730 CEST 2019: RMSD noise: 676.767 (5.856/5.357)
Wed May 08 11:18:40.730 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:18:40.746 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:18:40.761 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:18:40.811 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:18:41.108 CEST 2019: Number of Peaks: (67, 36)
Wed May 08 11:18:41.139 CEST 2019: Elapsed time for evaluation (PP Suite): 0.33 s.
Wed May 08 11:18:41.155 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:18:41.155 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:18:41.170 CEST 2019: Signal-to-Noise ratio: 3286.42 (1.927 ppm)
Wed May 08 11:18:41.186 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:18:41.186 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:18:41.202 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.64 s.
Wed May 08 11:18:41.311 CEST 2019: Number of Multiplets: 160
Wed May 08 11:18:41.311 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.11 s.
Wed May 08 11:18:41.467 CEST 2019: Number of Peak Cluster: 19
Wed May 08 11:18:41.467 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 11:18:41.514 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 11:18:42.359 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.84 s.
Wed May 08 11:18:42.421 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 11:18:42.437 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:18:42.453 CEST 2019: Number of consistent PNS: 5
Wed May 08 11:18:42.468 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:18:42.484 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:18:54.159 CEST 2019: Number of ASL: 603
Wed May 08 11:18:54.159 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.68 s.
Wed May 08 11:18:56.300 CEST 2019: Elapsed time for evaluation (IN Suite): 2.12 s.
Wed May 08 11:18:56.344 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:18:56.360 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:18:56.360 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:18:57.111 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 11:18:57.111 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:18:57.127 CEST 2019: CMC-q finished in 17.37 s.
