Mon May 13 13:43:40.381 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:43:40.391 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_G02\1\pdata\1
Mon May 13 13:43:40.401 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:43:40.421 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:43:40.421 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:43:40.441 CEST 2019: No HSQC data available
Mon May 13 13:43:40.461 CEST 2019: No C13 data available
Mon May 13 13:43:40.481 CEST 2019: No HMBC data available
Mon May 13 13:43:40.491 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:43:40.531 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:43:41.017 CEST 2019: Structure is used: true
Mon May 13 13:43:41.041 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_G02/1/0110705782.mol
Mon May 13 13:43:41.051 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.51 s.
Mon May 13 13:43:41.071 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:43:41.071 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:43:41.081 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:43:41.090 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:43:41.101 CEST 2019: Spectrum is suppressed.
Mon May 13 13:43:41.111 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:43:41.111 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:43:41.121 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:43:41.131 CEST 2019: Expected impurity: TSP
Mon May 13 13:43:41.141 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:43:41.151 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 13:43:41.161 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 13:43:41.161 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:43:41.171 CEST 2019: RMSD noise: 679.938 (10.098/9.598)
Mon May 13 13:43:41.181 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:43:41.191 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:43:41.201 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:43:41.240 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:43:41.426 CEST 2019: Number of Peaks: (57, 15)
Mon May 13 13:43:41.431 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:43:41.440 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:43:41.451 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:43:41.461 CEST 2019: Signal-to-Noise ratio: 1503.44 (3.677 ppm)
Mon May 13 13:43:41.461 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:43:41.471 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:43:41.481 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Mon May 13 13:43:41.541 CEST 2019: Number of Multiplets: 133
Mon May 13 13:43:41.551 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 13:43:41.631 CEST 2019: Number of Peak Cluster: 17
Mon May 13 13:43:41.641 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 13:43:41.781 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Mon May 13 13:43:42.171 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Mon May 13 13:43:42.211 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:43:42.221 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:43:42.231 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:43:42.241 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:43:42.266 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:43:47.721 CEST 2019: Number of ASL: 12
Mon May 13 13:43:47.730 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.46 s.
Mon May 13 13:43:48.176 CEST 2019: Elapsed time for evaluation (IN Suite): 0.43 s.
Mon May 13 13:43:48.681 CEST 2019: Elapsed time for evaluation (BU Suite): 0.50 s.
Mon May 13 13:43:48.701 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:43:48.711 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 13 13:43:49.311 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Mon May 13 13:43:49.323 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:43:49.331 CEST 2019: CMC-q finished in 8.95 s.
