Wed May 08 12:09:05.910 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:09:05.910 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_54\1\pdata\1
Wed May 08 12:09:05.942 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:09:05.942 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:09:05.957 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:09:06.005 CEST 2019: No HSQC data available
Wed May 08 12:09:06.037 CEST 2019: No C13 data available
Wed May 08 12:09:06.083 CEST 2019: No HMBC data available
Wed May 08 12:09:06.099 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:09:06.175 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 12:09:06.926 CEST 2019: Structure is used: true
Wed May 08 12:09:06.965 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_54/1/E06.mol
Wed May 08 12:09:06.965 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.76 s.
Wed May 08 12:09:06.996 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 12:09:06.996 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:09:07.012 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:09:07.027 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:09:07.027 CEST 2019: Spectrum is suppressed.
Wed May 08 12:09:07.043 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:09:07.043 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:09:07.059 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:09:07.074 CEST 2019: Expected impurity: TSP
Wed May 08 12:09:07.090 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:09:07.091 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 12:09:07.107 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 12:09:07.107 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:09:07.122 CEST 2019: RMSD noise: 669.162 (9.492/8.992)
Wed May 08 12:09:07.138 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:09:07.138 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:09:07.154 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:09:07.201 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 12:09:07.560 CEST 2019: Number of Peaks: (60, 18)
Wed May 08 12:09:07.575 CEST 2019: Elapsed time for evaluation (PP Suite): 0.35 s.
Wed May 08 12:09:07.575 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:09:07.591 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:09:07.591 CEST 2019: Signal-to-Noise ratio: 725.10 (7.923 ppm)
Wed May 08 12:09:07.607 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:09:07.622 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:09:07.622 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.65 s.
Wed May 08 12:09:07.732 CEST 2019: Number of Multiplets: 155
Wed May 08 12:09:07.732 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.10 s.
Wed May 08 12:09:07.857 CEST 2019: Number of Peak Cluster: 13
Wed May 08 12:09:07.888 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.14 s.
Wed May 08 12:09:08.005 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Wed May 08 12:09:08.553 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.54 s.
Wed May 08 12:09:08.569 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 12:09:08.584 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 12:09:08.600 CEST 2019: Number of consistent PNS: 6
Wed May 08 12:09:08.616 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 12:09:08.631 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 12:09:20.478 CEST 2019: Number of ASL: 256
Wed May 08 12:09:20.509 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 11.88 s.
Wed May 08 12:09:21.447 CEST 2019: Elapsed time for evaluation (IN Suite): 0.92 s.
Wed May 08 12:09:21.492 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:09:22.321 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 12:09:22.336 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:09:22.336 CEST 2019: CMC-q finished in 16.43 s.
