Wed May 08 11:38:20.542 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:38:20.542 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_94\1\pdata\1
Wed May 08 11:38:20.573 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:38:20.589 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:38:20.589 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:38:20.636 CEST 2019: No HSQC data available
Wed May 08 11:38:20.667 CEST 2019: No C13 data available
Wed May 08 11:38:20.698 CEST 2019: No HMBC data available
Wed May 08 11:38:20.714 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:38:20.776 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:38:21.231 CEST 2019: Structure is used: true
Wed May 08 11:38:21.301 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_94/1/H10.mol
Wed May 08 11:38:21.301 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.53 s.
Wed May 08 11:38:21.332 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:38:21.332 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:38:21.348 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:38:21.363 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:38:21.363 CEST 2019: Spectrum is suppressed.
Wed May 08 11:38:21.379 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:38:21.395 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:38:21.395 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:38:21.410 CEST 2019: Expected impurity: TSP
Wed May 08 11:38:21.427 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:38:21.427 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 11:38:21.443 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 11:38:21.443 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:38:21.480 CEST 2019: RMSD noise: 691.095 (1.009/0.509)
Wed May 08 11:38:21.480 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:38:21.496 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:38:21.512 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Wed May 08 11:38:21.574 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:38:21.700 CEST 2019: Number of Peaks: (24, 7)
Wed May 08 11:38:21.700 CEST 2019: Elapsed time for evaluation (PP Suite): 0.12 s.
Wed May 08 11:38:21.716 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:38:21.732 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:38:21.732 CEST 2019: Signal-to-Noise ratio: 733.79 (8.358 ppm)
Wed May 08 11:38:21.747 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:38:21.763 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:38:21.763 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Wed May 08 11:38:21.814 CEST 2019: Number of Multiplets: 61
Wed May 08 11:38:21.829 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 11:38:21.892 CEST 2019: Number of Peak Cluster: 10
Wed May 08 11:38:21.892 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 11:38:22.112 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.20 s.
Wed May 08 11:38:22.424 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 11:38:22.424 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:38:22.440 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:38:22.470 CEST 2019: Number of consistent PNS: 4
Wed May 08 11:38:22.490 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 11:38:22.505 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:38:25.475 CEST 2019: Number of ASL: 8
Wed May 08 11:38:25.490 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 2.97 s.
Wed May 08 11:38:25.631 CEST 2019: Elapsed time for evaluation (IN Suite): 0.14 s.
Wed May 08 11:38:25.678 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:38:25.678 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:38:26.446 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 11:38:26.462 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:38:26.462 CEST 2019: CMC-q finished in 5.92 s.
