Wed May 08 12:16:42.647 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:16:42.662 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_68\1\pdata\1
Wed May 08 12:16:42.678 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:16:42.694 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:16:42.709 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:16:42.757 CEST 2019: No HSQC data available
Wed May 08 12:16:42.804 CEST 2019: No C13 data available
Wed May 08 12:16:42.851 CEST 2019: No HMBC data available
Wed May 08 12:16:42.867 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:16:42.943 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 12:16:43.539 CEST 2019: Structure is used: true
Wed May 08 12:16:43.539 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_68/1/F08.mol
Wed May 08 12:16:43.554 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.58 s.
Wed May 08 12:16:43.594 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:16:43.610 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:16:43.610 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:16:43.626 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:16:43.626 CEST 2019: Spectrum is suppressed.
Wed May 08 12:16:43.641 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:16:43.657 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:16:43.657 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:16:43.672 CEST 2019: Expected impurity: TSP
Wed May 08 12:16:43.688 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:16:43.705 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 12:16:43.705 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 12:16:43.720 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:16:43.720 CEST 2019: RMSD noise: 681.821 (5.250/4.751)
Wed May 08 12:16:43.736 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:16:43.752 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:16:43.767 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:16:43.799 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:16:44.220 CEST 2019: Number of Peaks: (90, 36)
Wed May 08 12:16:44.220 CEST 2019: Elapsed time for evaluation (PP Suite): 0.41 s.
Wed May 08 12:16:44.236 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:16:44.252 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:16:44.252 CEST 2019: Signal-to-Noise ratio: 2235.30 (1.654 ppm)
Wed May 08 12:16:44.267 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:16:44.283 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:16:44.283 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.72 s.
Wed May 08 12:16:44.470 CEST 2019: Number of Multiplets: 220
Wed May 08 12:16:44.502 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.21 s.
Wed May 08 12:16:44.673 CEST 2019: Number of Peak Cluster: 24
Wed May 08 12:16:44.673 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.17 s.
Wed May 08 12:16:44.920 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.23 s.
Wed May 08 12:16:45.529 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.60 s.
Wed May 08 12:16:45.560 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 12:16:45.576 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:16:45.607 CEST 2019: Number of consistent PNS: 6
Wed May 08 12:16:45.622 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.03 s.
Wed May 08 12:16:45.638 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 12:17:03.107 CEST 2019: Number of ASL: 804
Wed May 08 12:17:03.132 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 17.47 s.
Wed May 08 12:17:06.344 CEST 2019: Elapsed time for evaluation (IN Suite): 3.21 s.
Wed May 08 12:17:06.386 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 12:17:07.278 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.93 s.
Wed May 08 12:17:07.293 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:17:07.309 CEST 2019: CMC-q finished in 24.66 s.
