Wed May 08 11:55:07.982 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:55:07.982 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_28\1\pdata\1
Wed May 08 11:55:08.014 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:55:08.014 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:55:08.029 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:55:08.076 CEST 2019: No HSQC data available
Wed May 08 11:55:08.107 CEST 2019: No C13 data available
Wed May 08 11:55:08.154 CEST 2019: No HMBC data available
Wed May 08 11:55:08.154 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:55:08.228 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:55:08.963 CEST 2019: Structure is used: true
Wed May 08 11:55:08.994 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_28/1/C04.mol
Wed May 08 11:55:09.011 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.78 s.
Wed May 08 11:55:09.051 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:55:09.067 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:55:09.067 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:55:09.082 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:55:09.098 CEST 2019: Spectrum is suppressed.
Wed May 08 11:55:09.098 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:55:09.114 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:55:09.129 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:55:09.145 CEST 2019: Expected impurity: TSP
Wed May 08 11:55:09.145 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:55:09.162 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]
Wed May 08 11:55:09.162 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]
Wed May 08 11:55:09.177 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:55:09.193 CEST 2019: RMSD noise: 640.479 (10.704/10.204)
Wed May 08 11:55:09.193 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:55:09.224 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.01 s.
Wed May 08 11:55:09.240 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:55:09.302 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 11:55:09.724 CEST 2019: Number of Peaks: (73, 31)
Wed May 08 11:55:09.724 CEST 2019: Elapsed time for evaluation (PP Suite): 0.41 s.
Wed May 08 11:55:09.740 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:55:09.740 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:55:09.755 CEST 2019: Signal-to-Noise ratio: 3467.32 (2.906 ppm)
Wed May 08 11:55:09.771 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:55:09.771 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:55:09.787 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.77 s.
Wed May 08 11:55:09.974 CEST 2019: Number of Multiplets: 181
Wed May 08 11:55:09.974 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.18 s.
Wed May 08 11:55:10.130 CEST 2019: Number of Peak Cluster: 18
Wed May 08 11:55:10.130 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.15 s.
Wed May 08 11:55:10.193 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 11:55:11.006 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.81 s.
Wed May 08 11:55:11.038 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:55:11.053 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:55:11.069 CEST 2019: Number of consistent PNS: 2
Wed May 08 11:55:11.085 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:55:11.131 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.04 s.
Wed May 08 11:55:18.509 CEST 2019: Number of ASL: 109
Wed May 08 11:55:18.529 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 7.38 s.
Wed May 08 11:55:20.718 CEST 2019: Elapsed time for evaluation (IN Suite): 2.18 s.
Wed May 08 11:55:20.763 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:55:21.487 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Wed May 08 11:55:21.497 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:55:21.507 CEST 2019: CMC-q finished in 13.53 s.
