Wed May 08 09:15:25.975 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:15:25.991 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_14\1\pdata\1
Wed May 08 09:15:26.007 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:15:26.007 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:15:26.022 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:15:26.038 CEST 2019: No HSQC data available
Wed May 08 09:15:26.053 CEST 2019: No C13 data available
Wed May 08 09:15:26.085 CEST 2019: No HMBC data available
Wed May 08 09:15:26.085 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:15:26.132 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:15:26.836 CEST 2019: Structure is used: true
Wed May 08 09:15:26.867 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_14/1/10.mol
Wed May 08 09:15:26.867 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.73 s.
Wed May 08 09:15:26.883 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:15:26.883 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:15:26.898 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:15:26.898 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:15:26.914 CEST 2019: Spectrum is suppressed.
Wed May 08 09:15:26.914 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:15:26.930 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:15:26.930 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:15:26.945 CEST 2019: Expected impurity: TSP
Wed May 08 09:15:26.961 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:15:26.961 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 09:15:26.976 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 09:15:26.976 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.03 s.
Wed May 08 09:15:26.992 CEST 2019: RMSD noise: 666.935 (5.250/4.751)
Wed May 08 09:15:26.992 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:15:27.008 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:15:27.008 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:15:27.055 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:15:27.226 CEST 2019: Number of Peaks: (58, 18)
Wed May 08 09:15:27.226 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:15:27.242 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:15:27.242 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:15:27.258 CEST 2019: Signal-to-Noise ratio: 11254.17 (0.935 ppm)
Wed May 08 09:15:27.258 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:15:27.273 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:15:27.273 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:15:27.321 CEST 2019: Number of Multiplets: 116
Wed May 08 09:15:27.353 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Wed May 08 09:15:27.431 CEST 2019: Number of Peak Cluster: 18
Wed May 08 09:15:27.446 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:15:27.573 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 09:15:27.937 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 09:15:27.953 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:15:27.969 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:15:27.969 CEST 2019: Number of consistent PNS: 3
Wed May 08 09:15:27.984 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:15:28.000 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:15:34.611 CEST 2019: Number of ASL: 107
Wed May 08 09:15:34.627 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 6.62 s.
Wed May 08 09:15:35.065 CEST 2019: Elapsed time for evaluation (IN Suite): 0.43 s.
Wed May 08 09:15:35.081 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:15:35.097 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:15:35.675 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Wed May 08 09:15:35.693 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:15:35.694 CEST 2019: CMC-q finished in 9.72 s.
