Mon May 06 23:07:00.471 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:07:00.486 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\93\pdata\1
Mon May 06 23:07:00.502 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:07:00.518 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:07:00.518 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:07:00.549 CEST 2019: No HSQC data available
Mon May 06 23:07:00.580 CEST 2019: No C13 data available
Mon May 06 23:07:00.611 CEST 2019: No HMBC data available
Mon May 06 23:07:00.611 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:07:00.658 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:07:01.409 CEST 2019: Structure is used: true
Mon May 06 23:07:01.425 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/93/H09.mol
Mon May 06 23:07:01.441 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.77 s.
Mon May 06 23:07:01.456 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:07:01.472 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:07:01.488 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:07:01.489 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:07:01.505 CEST 2019: Spectrum is suppressed.
Mon May 06 23:07:01.505 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:07:01.520 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:07:01.536 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:07:01.552 CEST 2019: Expected impurity: TSP
Mon May 06 23:07:01.552 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:07:01.567 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 23:07:01.583 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 23:07:01.583 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:07:01.598 CEST 2019: RMSD noise: 667.772 (6.462/5.963)
Mon May 06 23:07:01.614 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:07:01.614 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:07:01.630 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:07:01.677 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:07:02.133 CEST 2019: Number of Peaks: (101, 35)
Mon May 06 23:07:02.165 CEST 2019: Elapsed time for evaluation (PP Suite): 0.48 s.
Mon May 06 23:07:02.165 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:07:02.181 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:07:02.196 CEST 2019: Signal-to-Noise ratio: 3757.17 (3.309 ppm)
Mon May 06 23:07:02.196 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:07:02.212 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:07:02.212 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.77 s.
Mon May 06 23:07:02.524 CEST 2019: Number of Multiplets: 270
Mon May 06 23:07:02.556 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.33 s.
Mon May 06 23:07:02.743 CEST 2019: Number of Peak Cluster: 15
Mon May 06 23:07:02.759 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Mon May 06 23:07:03.181 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.42 s.
Mon May 06 23:07:04.008 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.81 s.
Mon May 06 23:07:04.055 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.05 s.
Mon May 06 23:07:04.087 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:07:04.368 CEST 2019: Number of consistent PNS: 7
Mon May 06 23:07:04.383 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.29 s.
Mon May 06 23:07:04.430 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.03 s.
Mon May 06 23:07:19.471 CEST 2019: Number of ASL: 201
Mon May 06 23:07:19.486 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 15.06 s.
Mon May 06 23:07:21.470 CEST 2019: Elapsed time for evaluation (IN Suite): 1.97 s.
Mon May 06 23:07:21.501 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:07:21.517 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:07:22.221 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.74 s.
Mon May 06 23:07:22.237 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:07:22.237 CEST 2019: CMC-q finished in 21.77 s.
