Mon May 13 13:29:30.623 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:29:30.636 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B08\1\pdata\1
Mon May 13 13:29:30.653 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:29:30.664 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:29:30.673 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:29:30.693 CEST 2019: No HSQC data available
Mon May 13 13:29:30.713 CEST 2019: No C13 data available
Mon May 13 13:29:30.733 CEST 2019: No HMBC data available
Mon May 13 13:29:30.743 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:29:30.783 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:29:31.018 CEST 2019: Structure is used: true
Mon May 13 13:29:31.023 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B08/1/0110705839.mol
Mon May 13 13:29:31.032 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.24 s.
Mon May 13 13:29:31.042 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:29:31.052 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:29:31.063 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:29:31.072 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:29:31.083 CEST 2019: Spectrum is suppressed.
Mon May 13 13:29:31.093 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:29:31.103 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:29:31.112 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:29:31.136 CEST 2019: Expected impurity: TSP
Mon May 13 13:29:31.173 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:29:31.183 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 13:29:31.193 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 13:29:31.203 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.08 s.
Mon May 13 13:29:31.213 CEST 2019: RMSD noise: 653.823 (5.250/4.751)
Mon May 13 13:29:31.223 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:29:31.236 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:29:31.243 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:31.282 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:29:31.413 CEST 2019: Number of Peaks: (34, 8)
Mon May 13 13:29:31.423 CEST 2019: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon May 13 13:29:31.432 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:29:31.436 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:31.443 CEST 2019: Signal-to-Noise ratio: 4255.77 (3.933 ppm)
Mon May 13 13:29:31.453 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:29:31.463 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:31.472 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:29:31.503 CEST 2019: Number of Multiplets: 79
Mon May 13 13:29:31.513 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:29:31.573 CEST 2019: Number of Peak Cluster: 13
Mon May 13 13:29:31.583 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:29:31.723 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 13 13:29:31.992 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Mon May 13 13:29:32.003 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:29:32.013 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:29:32.023 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:29:32.037 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:29:32.052 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:29:32.073 CEST 2019: Number of ASL: 3
Mon May 13 13:29:32.083 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon May 13 13:29:32.213 CEST 2019: Elapsed time for evaluation (IN Suite): 0.12 s.
Mon May 13 13:29:32.253 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:29:32.263 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:29:32.812 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Mon May 13 13:29:32.823 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:32.833 CEST 2019: CMC-q finished in 2.21 s.
