Mon May 13 13:39:11.291 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:39:11.301 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_E08\1\pdata\1
Mon May 13 13:39:11.311 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:39:11.321 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:39:11.332 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:39:11.351 CEST 2019: No HSQC data available
Mon May 13 13:39:11.371 CEST 2019: No C13 data available
Mon May 13 13:39:11.391 CEST 2019: No HMBC data available
Mon May 13 13:39:11.401 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:39:11.441 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:39:11.761 CEST 2019: Structure is used: true
Mon May 13 13:39:11.792 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_E08/1/0110705800.mol
Mon May 13 13:39:11.802 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.35 s.
Mon May 13 13:39:11.812 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:39:11.821 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:39:11.832 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:39:11.841 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:39:11.841 CEST 2019: Spectrum is suppressed.
Mon May 13 13:39:11.852 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:39:11.861 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:39:11.872 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:39:11.881 CEST 2019: Expected impurity: TSP
Mon May 13 13:39:11.891 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:39:11.901 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 13:39:11.901 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 13:39:11.911 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:39:11.921 CEST 2019: RMSD noise: 686.330 (6.462/5.963)
Mon May 13 13:39:11.932 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:39:11.941 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:39:11.951 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:39:11.986 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:39:12.171 CEST 2019: Number of Peaks: (56, 30)
Mon May 13 13:39:12.181 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:39:12.191 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:39:12.202 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:39:12.211 CEST 2019: Signal-to-Noise ratio: 2399.12 (1.481 ppm)
Mon May 13 13:39:12.221 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:39:12.221 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:39:12.233 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:39:12.321 CEST 2019: Number of Multiplets: 197
Mon May 13 13:39:12.333 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Mon May 13 13:39:12.421 CEST 2019: Number of Peak Cluster: 16
Mon May 13 13:39:12.433 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 13:39:12.521 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Mon May 13 13:39:12.852 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon May 13 13:39:12.901 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 13 13:39:12.911 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:39:12.921 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:39:12.932 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:39:12.941 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:39:13.066 CEST 2019: Number of ASL: 48
Mon May 13 13:39:13.071 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon May 13 13:39:13.811 CEST 2019: Elapsed time for evaluation (IN Suite): 0.74 s.
Mon May 13 13:39:13.841 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:39:14.456 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Mon May 13 13:39:14.471 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:39:14.481 CEST 2019: CMC-q finished in 3.19 s.
