Mon May 13 13:29:04.588 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:29:04.598 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_B06\1\pdata\1
Mon May 13 13:29:04.613 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:29:04.624 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:29:04.633 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:29:04.653 CEST 2019: No HSQC data available
Mon May 13 13:29:04.673 CEST 2019: No C13 data available
Mon May 13 13:29:04.693 CEST 2019: No HMBC data available
Mon May 13 13:29:04.702 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:29:04.742 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:29:04.998 CEST 2019: Structure is used: true
Mon May 13 13:29:05.033 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_B06/1/0110705837.mol
Mon May 13 13:29:05.033 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.29 s.
Mon May 13 13:29:05.053 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:29:05.063 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:29:05.077 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:29:05.083 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:29:05.093 CEST 2019: Spectrum is suppressed.
Mon May 13 13:29:05.102 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:29:05.113 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:29:05.123 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:29:05.133 CEST 2019: Expected impurity: TSP
Mon May 13 13:29:05.143 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:29:05.143 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 13:29:05.152 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 13:29:05.163 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:29:05.173 CEST 2019: RMSD noise: 638.888 (-0.812/-1.312)
Mon May 13 13:29:05.183 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:29:05.193 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:29:05.202 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:05.243 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:29:05.408 CEST 2019: Number of Peaks: (36, 8)
Mon May 13 13:29:05.413 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 13 13:29:05.423 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:29:05.433 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:29:05.443 CEST 2019: Signal-to-Noise ratio: 2629.34 (2.880 ppm)
Mon May 13 13:29:05.453 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:29:05.463 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:05.463 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Mon May 13 13:29:05.492 CEST 2019: Number of Multiplets: 65
Mon May 13 13:29:05.503 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:29:05.562 CEST 2019: Number of Peak Cluster: 13
Mon May 13 13:29:05.573 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:29:05.653 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 13:29:05.943 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 13 13:29:05.973 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:29:05.983 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:29:05.994 CEST 2019: Number of consistent PNS: 3
Mon May 13 13:29:06.002 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:29:06.013 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:29:06.038 CEST 2019: Number of ASL: 12
Mon May 13 13:29:06.042 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon May 13 13:29:06.293 CEST 2019: Elapsed time for evaluation (IN Suite): 0.24 s.
Mon May 13 13:29:06.323 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:29:06.333 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:29:06.902 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Mon May 13 13:29:06.912 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:29:06.912 CEST 2019: CMC-q finished in 2.32 s.
