Mon May 06 22:53:56.454 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:53:56.470 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\49\pdata\1
Mon May 06 22:53:56.486 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:53:56.501 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:53:56.517 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:53:56.532 CEST 2019: No HSQC data available
Mon May 06 22:53:56.548 CEST 2019: No C13 data available
Mon May 06 22:53:56.579 CEST 2019: No HMBC data available
Mon May 06 22:53:56.579 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:53:56.642 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:53:57.190 CEST 2019: Structure is used: true
Mon May 06 22:53:57.221 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/49/E01.mol
Mon May 06 22:53:57.237 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.59 s.
Mon May 06 22:53:57.252 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:53:57.268 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:53:57.268 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:53:57.284 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:53:57.299 CEST 2019: Spectrum is suppressed.
Mon May 06 22:53:57.299 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:53:57.315 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:53:57.330 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:53:57.346 CEST 2019: Expected impurity: TSP
Mon May 06 22:53:57.346 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:53:57.362 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 22:53:57.377 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 22:53:57.377 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:53:57.393 CEST 2019: RMSD noise: 655.105 (10.704/10.204)
Mon May 06 22:53:57.408 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:53:57.408 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:53:57.424 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:53:57.471 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:53:57.627 CEST 2019: Number of Peaks: (36, 14)
Mon May 06 22:53:57.643 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon May 06 22:53:57.643 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:53:57.658 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:53:57.674 CEST 2019: Signal-to-Noise ratio: 4559.69 (3.339 ppm)
Mon May 06 22:53:57.674 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:53:57.690 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:53:57.705 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.46 s.
Mon May 06 22:53:57.736 CEST 2019: Number of Multiplets: 70
Mon May 06 22:53:57.752 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 06 22:53:57.830 CEST 2019: Number of Peak Cluster: 16
Mon May 06 22:53:57.846 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 06 22:53:58.019 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Mon May 06 22:53:58.363 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon May 06 22:53:58.363 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 22:53:58.378 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:53:58.394 CEST 2019: Number of consistent PNS: 3
Mon May 06 22:53:58.409 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:53:58.425 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:53:58.472 CEST 2019: Number of ASL: 16
Mon May 06 22:53:58.488 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon May 06 22:53:58.535 CEST 2019: Elapsed time for evaluation (IN Suite): 0.05 s.
Mon May 06 22:53:58.613 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:53:58.613 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:53:59.316 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.72 s.
Mon May 06 22:53:59.316 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:53:59.331 CEST 2019: CMC-q finished in 2.88 s.
