Wed May 08 16:02:09.387 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:02:09.402 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_A07\1\pdata\1
Wed May 08 16:02:09.418 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:02:09.433 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:02:09.433 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:02:09.465 CEST 2019: No HSQC data available
Wed May 08 16:02:09.512 CEST 2019: No C13 data available
Wed May 08 16:02:09.543 CEST 2019: No HMBC data available
Wed May 08 16:02:09.543 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:02:09.605 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:02:10.092 CEST 2019: Structure is used: true
Wed May 08 16:02:10.124 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_A07/1/A07.mol
Wed May 08 16:02:10.124 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Wed May 08 16:02:10.139 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:02:10.155 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:02:10.171 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:02:10.171 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:02:10.186 CEST 2019: Spectrum is suppressed.
Wed May 08 16:02:10.186 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:02:10.202 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:02:10.217 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:02:10.233 CEST 2019: Expected impurity: TSP
Wed May 08 16:02:10.233 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:02:10.249 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 16:02:10.249 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 16:02:10.264 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:02:10.280 CEST 2019: RMSD noise: 696.223 (1.009/0.509)
Wed May 08 16:02:10.293 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:02:10.309 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:02:10.325 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:02:10.372 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:02:10.529 CEST 2019: Number of Peaks: (30, 10)
Wed May 08 16:02:10.545 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 16:02:10.560 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:02:10.576 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:02:10.592 CEST 2019: Signal-to-Noise ratio: 2404.71 (5.946 ppm)
Wed May 08 16:02:10.607 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:02:10.607 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:02:10.623 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.49 s.
Wed May 08 16:02:10.670 CEST 2019: Number of Multiplets: 70
Wed May 08 16:02:10.688 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:02:10.781 CEST 2019: Number of Peak Cluster: 17
Wed May 08 16:02:10.797 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 16:02:11.001 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.20 s.
Wed May 08 16:02:11.330 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Wed May 08 16:02:11.330 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:02:11.345 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:02:11.376 CEST 2019: Number of consistent PNS: 4
Wed May 08 16:02:11.376 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:02:11.408 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:02:14.721 CEST 2019: Number of ASL: 141
Wed May 08 16:02:14.737 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 3.32 s.
Wed May 08 16:02:15.252 CEST 2019: Elapsed time for evaluation (IN Suite): 0.51 s.
Wed May 08 16:02:15.268 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:02:15.284 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:02:15.975 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.71 s.
Wed May 08 16:02:15.991 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:02:15.991 CEST 2019: CMC-q finished in 6.60 s.
