Wed May 08 09:33:41.480 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:33:41.497 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_82\1\pdata\1
Wed May 08 09:33:41.512 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:33:41.528 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:33:41.528 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:33:41.559 CEST 2019: No HSQC data available
Wed May 08 09:33:41.575 CEST 2019: No C13 data available
Wed May 08 09:33:41.586 CEST 2019: No HMBC data available
Wed May 08 09:33:41.603 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:33:41.650 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:33:42.173 CEST 2019: Structure is used: true
Wed May 08 09:33:42.205 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_82/1/79.mol
Wed May 08 09:33:42.205 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.55 s.
Wed May 08 09:33:42.220 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:33:42.236 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:33:42.236 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:33:42.251 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:33:42.251 CEST 2019: Spectrum is suppressed.
Wed May 08 09:33:42.267 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:33:42.267 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:33:42.283 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:33:42.283 CEST 2019: Expected impurity: TSP
Wed May 08 09:33:42.300 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:33:42.300 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 09:33:42.315 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 09:33:42.315 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:33:42.331 CEST 2019: RMSD noise: 684.356 (1.009/0.509)
Wed May 08 09:33:42.331 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:33:42.347 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:33:42.362 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:33:42.393 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:33:42.515 CEST 2019: Number of Peaks: (30, 13)
Wed May 08 09:33:42.548 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Wed May 08 09:33:42.548 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:33:42.563 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:33:42.563 CEST 2019: Signal-to-Noise ratio: 892.59 (3.747 ppm)
Wed May 08 09:33:42.579 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:33:42.594 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:33:42.594 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.38 s.
Wed May 08 09:33:42.610 CEST 2019: Number of Multiplets: 48
Wed May 08 09:33:42.626 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 09:33:42.674 CEST 2019: Number of Peak Cluster: 13
Wed May 08 09:33:42.690 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.05 s.
Wed May 08 09:33:42.721 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.03 s.
Wed May 08 09:33:43.033 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Wed May 08 09:33:43.033 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:33:43.049 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:33:43.064 CEST 2019: Number of consistent PNS: 2
Wed May 08 09:33:43.080 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:33:43.080 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:33:43.365 CEST 2019: Number of ASL: 78
Wed May 08 09:33:43.382 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.28 s.
Wed May 08 09:33:43.637 CEST 2019: Elapsed time for evaluation (IN Suite): 0.25 s.
Wed May 08 09:33:43.667 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:33:43.667 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:33:44.302 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.65 s.
Wed May 08 09:33:44.317 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:33:44.320 CEST 2019: CMC-q finished in 2.84 s.
