Mon May 13 13:55:13.629 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:55:13.639 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A03\1\pdata\1
Mon May 13 13:55:13.659 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:55:13.674 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:55:13.679 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:55:13.699 CEST 2019: No HSQC data available
Mon May 13 13:55:13.719 CEST 2019: No C13 data available
Mon May 13 13:55:13.739 CEST 2019: No HMBC data available
Mon May 13 13:55:13.749 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:55:13.789 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:55:14.329 CEST 2019: Structure is used: true
Mon May 13 13:55:14.359 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A03/1/0110706045.mol
Mon May 13 13:55:14.369 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.57 s.
Mon May 13 13:55:14.379 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:55:14.389 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:55:14.399 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:55:14.409 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:55:14.419 CEST 2019: Spectrum is suppressed.
Mon May 13 13:55:14.429 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:55:14.429 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:55:14.439 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:55:14.449 CEST 2019: Expected impurity: TSP
Mon May 13 13:55:14.459 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:55:14.469 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 13:55:14.479 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 13:55:14.489 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:55:14.489 CEST 2019: RMSD noise: 674.724 (6.462/5.963)
Mon May 13 13:55:14.499 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:55:14.509 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:55:14.519 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:55:14.560 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:55:14.764 CEST 2019: Number of Peaks: (62, 6)
Mon May 13 13:55:14.769 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 13:55:14.779 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:55:14.789 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:55:14.799 CEST 2019: Signal-to-Noise ratio: 4989.86 (2.927 ppm)
Mon May 13 13:55:14.799 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:55:14.809 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:55:14.819 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon May 13 13:55:14.879 CEST 2019: Number of Multiplets: 109
Mon May 13 13:55:14.889 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 13:55:14.979 CEST 2019: Number of Peak Cluster: 19
Mon May 13 13:55:14.989 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 13:55:15.279 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.28 s.
Mon May 13 13:55:15.799 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.52 s.
Mon May 13 13:55:15.829 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:55:15.853 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:55:15.861 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:55:15.869 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:55:15.899 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 13:55:16.009 CEST 2019: Number of ASL: 9
Mon May 13 13:55:16.019 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.10 s.
Mon May 13 13:55:16.654 CEST 2019: Elapsed time for evaluation (IN Suite): 0.62 s.
Mon May 13 13:55:16.669 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:55:16.679 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:55:17.259 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Mon May 13 13:55:17.269 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:55:17.269 CEST 2019: CMC-q finished in 3.64 s.
