Mon May 06 23:10:06.084 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:10:06.100 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\6\pdata\1
Mon May 06 23:10:06.115 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:10:06.131 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:10:06.146 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:10:06.162 CEST 2019: No HSQC data available
Mon May 06 23:10:06.193 CEST 2019: No C13 data available
Mon May 06 23:10:06.209 CEST 2019: No HMBC data available
Mon May 06 23:10:06.225 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:10:06.271 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:10:06.944 CEST 2019: Structure is used: true
Mon May 06 23:10:06.976 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/6/A06.mol
Mon May 06 23:10:06.991 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.70 s.
Mon May 06 23:10:07.007 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:10:07.007 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:10:07.023 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:10:07.023 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:10:07.038 CEST 2019: Spectrum is suppressed.
Mon May 06 23:10:07.054 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:10:07.054 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:10:07.069 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:10:07.085 CEST 2019: Expected impurity: TSP
Mon May 06 23:10:07.101 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:10:07.101 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 06 23:10:07.116 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 06 23:10:07.132 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:10:07.132 CEST 2019: RMSD noise: 651.488 (-0.203/-0.703)
Mon May 06 23:10:07.147 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:10:07.147 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:10:07.163 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:10:07.215 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:10:07.371 CEST 2019: Number of Peaks: (31, 20)
Mon May 06 23:10:07.404 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 06 23:10:07.404 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:10:07.420 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:10:07.420 CEST 2019: Signal-to-Noise ratio: 4519.73 (3.764 ppm)
Mon May 06 23:10:07.435 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:10:07.451 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:10:07.451 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 06 23:10:07.498 CEST 2019: Number of Multiplets: 82
Mon May 06 23:10:07.513 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:10:07.576 CEST 2019: Number of Peak Cluster: 13
Mon May 06 23:10:07.591 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:10:07.763 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 23:10:08.076 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.30 s.
Mon May 06 23:10:08.091 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:10:08.091 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:10:08.115 CEST 2019: Number of consistent PNS: 5
Mon May 06 23:10:08.131 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:10:08.146 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:10:08.602 CEST 2019: Number of ASL: 32
Mon May 06 23:10:08.634 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.47 s.
Mon May 06 23:10:08.838 CEST 2019: Elapsed time for evaluation (IN Suite): 0.19 s.
Mon May 06 23:10:08.854 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:10:09.595 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:10:09.611 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:10:09.611 CEST 2019: CMC-q finished in 3.53 s.
