Mon May 06 22:52:56.031 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:52:56.047 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\47\pdata\1
Mon May 06 22:52:56.063 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:52:56.078 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:52:56.078 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:52:56.110 CEST 2019: No HSQC data available
Mon May 06 22:52:56.125 CEST 2019: No C13 data available
Mon May 06 22:52:56.156 CEST 2019: No HMBC data available
Mon May 06 22:52:56.156 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:52:56.229 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 06 22:52:57.433 CEST 2019: Structure is used: true
Mon May 06 22:52:57.449 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/47/D11.mol
Mon May 06 22:52:57.464 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.23 s.
Mon May 06 22:52:57.480 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:52:57.495 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:52:57.495 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:52:57.511 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:52:57.527 CEST 2019: Spectrum is suppressed.
Mon May 06 22:52:57.527 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:52:57.542 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:52:57.558 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:52:57.573 CEST 2019: Expected impurity: TSP
Mon May 06 22:52:57.573 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:52:57.589 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 22:52:57.605 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 22:52:57.605 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:52:57.620 CEST 2019: RMSD noise: 712.941 (8.280/7.780)
Mon May 06 22:52:57.636 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:52:57.636 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:52:57.652 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:52:57.698 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:52:58.170 CEST 2019: Number of Peaks: (101, 48)
Mon May 06 22:52:58.185 CEST 2019: Elapsed time for evaluation (PP Suite): 0.48 s.
Mon May 06 22:52:58.201 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:52:58.201 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:52:58.217 CEST 2019: Signal-to-Noise ratio: 1602.39 (0.971 ppm)
Mon May 06 22:52:58.232 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:52:58.232 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:52:58.248 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.77 s.
Mon May 06 22:52:58.763 CEST 2019: Number of Multiplets: 332
Mon May 06 22:52:58.795 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.54 s.
Mon May 06 22:52:59.503 CEST 2019: Number of Peak Cluster: 12
Mon May 06 22:52:59.519 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.71 s.
Mon May 06 22:53:00.175 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.64 s.
Mon May 06 22:53:01.461 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 1.28 s.
Mon May 06 22:53:01.508 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon May 06 22:53:01.508 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:53:01.571 CEST 2019: Number of consistent PNS: 4
Mon May 06 22:53:01.586 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.06 s.
Mon May 06 22:53:01.649 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.06 s.
Mon May 06 22:53:26.877 CEST 2019: Number of ASL: 201
Mon May 06 22:53:26.892 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 25.23 s.
Mon May 06 22:53:30.641 CEST 2019: Elapsed time for evaluation (IN Suite): 3.74 s.
Mon May 06 22:53:30.672 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:53:30.688 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:53:31.517 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Mon May 06 22:53:31.533 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:53:31.533 CEST 2019: CMC-q finished in 35.50 s.
