Mon May 13 13:27:58.643 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:27:58.643 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B02\1\pdata\1
Mon May 13 13:27:58.663 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:27:58.673 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:27:58.683 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:27:58.703 CEST 2019: No HSQC data available
Mon May 13 13:27:58.723 CEST 2019: No C13 data available
Mon May 13 13:27:58.743 CEST 2019: No HMBC data available
Mon May 13 13:27:58.753 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:27:58.793 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:27:59.023 CEST 2019: Structure is used: true
Mon May 13 13:27:59.063 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B02/1/0110705833.mol
Mon May 13 13:27:59.073 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.27 s.
Mon May 13 13:27:59.083 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:27:59.093 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:27:59.103 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:27:59.113 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:27:59.123 CEST 2019: Spectrum is suppressed.
Mon May 13 13:27:59.123 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:27:59.133 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:27:59.143 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:27:59.153 CEST 2019: Expected impurity: TSP
Mon May 13 13:27:59.163 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:27:59.173 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 13:27:59.183 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 13:27:59.194 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:27:59.203 CEST 2019: RMSD noise: 694.235 (10.098/9.598)
Mon May 13 13:27:59.213 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:27:59.223 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:27:59.233 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:27:59.268 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:27:59.383 CEST 2019: Number of Peaks: (33, 0)
Mon May 13 13:27:59.393 CEST 2019: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon May 13 13:27:59.403 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:27:59.413 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:27:59.423 CEST 2019: Signal-to-Noise ratio: 1435.61 (8.079 ppm)
Mon May 13 13:27:59.433 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:27:59.443 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:27:59.443 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.37 s.
Mon May 13 13:27:59.463 CEST 2019: Number of Multiplets: 48
Mon May 13 13:27:59.473 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon May 13 13:27:59.693 CEST 2019: Number of Peak Cluster: 14
Mon May 13 13:27:59.703 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.22 s.
Mon May 13 13:27:59.748 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 13 13:28:00.042 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 13 13:28:00.073 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:28:00.083 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:28:00.093 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:28:00.103 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:28:00.113 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:28:00.127 CEST 2019: Number of ASL: 4
Mon May 13 13:28:00.133 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon May 13 13:28:00.183 CEST 2019: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon May 13 13:28:00.203 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:28:00.743 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.55 s.
Mon May 13 13:28:00.753 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:28:00.763 CEST 2019: CMC-q finished in 2.13 s.
