Mon May 06 22:55:32.431 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:55:32.431 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\55\pdata\1
Mon May 06 22:55:32.463 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:55:32.478 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:55:32.478 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:55:32.509 CEST 2019: No HSQC data available
Mon May 06 22:55:32.525 CEST 2019: No C13 data available
Mon May 06 22:55:32.541 CEST 2019: No HMBC data available
Mon May 06 22:55:32.556 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:55:32.625 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 06 22:55:33.657 CEST 2019: Structure is used: true
Mon May 06 22:55:33.688 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/55/E07.mol
Mon May 06 22:55:33.704 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.08 s.
Mon May 06 22:55:33.720 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:55:33.735 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:55:33.751 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:55:33.751 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:55:33.766 CEST 2019: Spectrum is suppressed.
Mon May 06 22:55:33.766 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:55:33.782 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:55:33.798 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:55:33.813 CEST 2019: Expected impurity: TSP
Mon May 06 22:55:33.813 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:55:33.829 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 22:55:33.845 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 22:55:33.845 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:55:33.860 CEST 2019: RMSD noise: 654.089 (10.704/10.204)
Mon May 06 22:55:33.860 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:55:33.876 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:55:33.891 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:55:33.938 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:55:34.157 CEST 2019: Number of Peaks: (60, 17)
Mon May 06 22:55:34.188 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon May 06 22:55:34.204 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:55:34.204 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:55:34.219 CEST 2019: Signal-to-Noise ratio: 1878.16 (7.252 ppm)
Mon May 06 22:55:34.235 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:55:34.235 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:55:34.251 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.53 s.
Mon May 06 22:55:34.344 CEST 2019: Number of Multiplets: 175
Mon May 06 22:55:34.360 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Mon May 06 22:55:34.469 CEST 2019: Number of Peak Cluster: 14
Mon May 06 22:55:34.485 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 06 22:55:34.672 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Mon May 06 22:55:35.242 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.54 s.
Mon May 06 22:55:35.258 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:55:35.274 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Mon May 06 22:55:35.305 CEST 2019: Number of consistent PNS: 2
Mon May 06 22:55:35.321 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Mon May 06 22:55:35.431 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.10 s.
Mon May 06 22:55:35.587 CEST 2019: Number of ASL: 11
Mon May 06 22:55:35.603 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.13 s.
Mon May 06 22:55:36.017 CEST 2019: Elapsed time for evaluation (IN Suite): 0.41 s.
Mon May 06 22:55:36.064 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:55:36.079 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:55:37.177 CEST 2019: Elapsed time for evaluation (FIN Suite): 1.14 s.
Mon May 06 22:55:37.193 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:55:37.208 CEST 2019: CMC-q finished in 4.78 s.
