Mon May 13 13:46:01.670 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:46:01.681 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_G08\1\pdata\1
Mon May 13 13:46:01.701 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:46:01.711 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:46:01.720 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:46:01.741 CEST 2019: No HSQC data available
Mon May 13 13:46:01.780 CEST 2019: No C13 data available
Mon May 13 13:46:01.801 CEST 2019: No HMBC data available
Mon May 13 13:46:01.811 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:46:01.850 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:46:02.140 CEST 2019: Structure is used: true
Mon May 13 13:46:02.140 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_G08/1/0110705776.mol
Mon May 13 13:46:02.151 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.29 s.
Mon May 13 13:46:02.170 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:46:02.180 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:46:02.191 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:46:02.191 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:46:02.201 CEST 2019: Spectrum is suppressed.
Mon May 13 13:46:02.212 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:46:02.221 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:46:02.231 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:46:02.240 CEST 2019: Expected impurity: TSP
Mon May 13 13:46:02.251 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:46:02.261 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 13 13:46:02.261 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 13 13:46:02.271 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:46:02.280 CEST 2019: RMSD noise: 659.367 (-0.812/-1.312)
Mon May 13 13:46:02.290 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:46:02.301 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:46:02.312 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:46:02.361 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:46:02.512 CEST 2019: Number of Peaks: (42, 12)
Mon May 13 13:46:02.540 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 13 13:46:02.550 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:46:02.561 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:46:02.571 CEST 2019: Signal-to-Noise ratio: 4145.31 (2.200 ppm)
Mon May 13 13:46:02.580 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:46:02.580 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:46:02.591 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:46:02.620 CEST 2019: Number of Multiplets: 66
Mon May 13 13:46:02.630 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:46:02.700 CEST 2019: Number of Peak Cluster: 19
Mon May 13 13:46:02.712 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:46:02.785 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 13:46:03.070 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 13 13:46:03.080 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:46:03.091 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:46:03.101 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:46:03.112 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:46:03.125 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:46:03.191 CEST 2019: Number of ASL: 18
Mon May 13 13:46:03.200 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon May 13 13:46:03.590 CEST 2019: Elapsed time for evaluation (IN Suite): 0.38 s.
Mon May 13 13:46:03.613 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:46:03.620 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:46:04.214 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Mon May 13 13:46:04.221 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:46:04.231 CEST 2019: CMC-q finished in 2.56 s.
