Wed May 08 09:23:32.896 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:23:32.912 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_43\1\pdata\1
Wed May 08 09:23:32.927 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:23:32.927 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:23:32.943 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:23:32.958 CEST 2019: No HSQC data available
Wed May 08 09:23:32.974 CEST 2019: No C13 data available
Wed May 08 09:23:33.005 CEST 2019: No HMBC data available
Wed May 08 09:23:33.005 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:23:33.052 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:23:33.492 CEST 2019: Structure is used: true
Wed May 08 09:23:33.508 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_43/1/52.mol
Wed May 08 09:23:33.524 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.45 s.
Wed May 08 09:23:33.539 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:23:33.539 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:23:33.555 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:23:33.555 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:23:33.570 CEST 2019: Spectrum is suppressed.
Wed May 08 09:23:33.570 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:23:33.586 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:23:33.586 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:23:33.602 CEST 2019: Expected impurity: TSP
Wed May 08 09:23:33.602 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:23:33.617 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 09:23:33.617 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 09:23:33.633 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:23:33.633 CEST 2019: RMSD noise: 659.294 (5.250/4.751)
Wed May 08 09:23:33.649 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:23:33.649 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:23:33.664 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:23:33.695 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:23:33.853 CEST 2019: Number of Peaks: (46, 6)
Wed May 08 09:23:33.869 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 09:23:33.884 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:23:33.884 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:23:33.900 CEST 2019: Signal-to-Noise ratio: 10159.80 (3.827 ppm)
Wed May 08 09:23:33.900 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:23:33.916 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:33.916 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.39 s.
Wed May 08 09:23:33.947 CEST 2019: Number of Multiplets: 70
Wed May 08 09:23:33.962 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:23:34.040 CEST 2019: Number of Peak Cluster: 19
Wed May 08 09:23:34.040 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 09:23:34.104 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 09:23:34.403 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:23:34.418 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:23:34.434 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:23:34.449 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:23:34.449 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:23:34.465 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:23:34.481 CEST 2019: Number of ASL: 3
Wed May 08 09:23:34.496 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Wed May 08 09:23:34.824 CEST 2019: Elapsed time for evaluation (IN Suite): 0.33 s.
Wed May 08 09:23:34.856 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:23:34.856 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:23:35.437 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 09:23:35.453 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:23:35.453 CEST 2019: CMC-q finished in 2.56 s.
