Mon May 13 13:30:22.462 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:30:22.462 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B12\1\pdata\1
Mon May 13 13:30:22.483 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:30:22.492 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:30:22.503 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:30:22.523 CEST 2019: No HSQC data available
Mon May 13 13:30:22.542 CEST 2019: No C13 data available
Mon May 13 13:30:22.563 CEST 2019: No HMBC data available
Mon May 13 13:30:22.572 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:30:22.612 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:30:23.382 CEST 2019: Structure is used: true
Mon May 13 13:30:23.413 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B12/1/0110705843.mol
Mon May 13 13:30:23.422 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.80 s.
Mon May 13 13:30:23.433 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:30:23.442 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:30:23.452 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:30:23.462 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:30:23.472 CEST 2019: Spectrum is suppressed.
Mon May 13 13:30:23.482 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:30:23.482 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:30:23.492 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:30:23.512 CEST 2019: Expected impurity: TSP
Mon May 13 13:30:23.512 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:30:23.522 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 13:30:23.532 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 13:30:23.542 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:30:23.552 CEST 2019: RMSD noise: 663.024 (7.068/6.569)
Mon May 13 13:30:23.552 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:30:23.562 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:30:23.572 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:30:23.613 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:30:23.942 CEST 2019: Number of Peaks: (95, 28)
Mon May 13 13:30:23.962 CEST 2019: Elapsed time for evaluation (PP Suite): 0.34 s.
Mon May 13 13:30:23.972 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:30:23.982 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:30:23.992 CEST 2019: Signal-to-Noise ratio: 5753.82 (1.752 ppm)
Mon May 13 13:30:23.992 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:30:24.002 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:30:24.012 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.58 s.
Mon May 13 13:30:24.147 CEST 2019: Number of Multiplets: 247
Mon May 13 13:30:24.152 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.13 s.
Mon May 13 13:30:24.612 CEST 2019: Number of Peak Cluster: 23
Mon May 13 13:30:24.622 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.46 s.
Mon May 13 13:30:24.693 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 13 13:30:25.222 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.52 s.
Mon May 13 13:30:25.252 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 13 13:30:25.272 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:30:25.282 CEST 2019: Number of consistent PNS: 5
Mon May 13 13:30:25.292 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 13:30:25.312 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:30:34.592 CEST 2019: Number of ASL: 30
Mon May 13 13:30:34.602 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.28 s.
Mon May 13 13:30:37.147 CEST 2019: Elapsed time for evaluation (IN Suite): 2.54 s.
Mon May 13 13:30:37.172 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:30:37.182 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:30:37.793 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.64 s.
Mon May 13 13:30:37.802 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:30:37.812 CEST 2019: CMC-q finished in 15.36 s.
