Mon May 06 22:57:03.043 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:57:03.043 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\60\pdata\1
Mon May 06 22:57:03.075 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:57:03.075 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:57:03.090 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:57:03.106 CEST 2019: No HSQC data available
Mon May 06 22:57:03.137 CEST 2019: No C13 data available
Mon May 06 22:57:03.153 CEST 2019: No HMBC data available
Mon May 06 22:57:03.168 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:57:03.215 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:57:03.982 CEST 2019: Structure is used: true
Mon May 06 22:57:03.998 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/60/E12.mol
Mon May 06 22:57:04.014 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.79 s.
Mon May 06 22:57:04.029 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:57:04.045 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:57:04.061 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:57:04.061 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:57:04.076 CEST 2019: Spectrum is suppressed.
Mon May 06 22:57:04.076 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:57:04.092 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:57:04.107 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:57:04.123 CEST 2019: Expected impurity: TSP
Mon May 06 22:57:04.123 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:57:04.139 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 22:57:04.154 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 22:57:04.154 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:57:04.170 CEST 2019: RMSD noise: 663.626 (10.704/10.204)
Mon May 06 22:57:04.170 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:57:04.185 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:57:04.201 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:57:04.248 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 22:57:04.498 CEST 2019: Number of Peaks: (65, 35)
Mon May 06 22:57:04.514 CEST 2019: Elapsed time for evaluation (PP Suite): 0.26 s.
Mon May 06 22:57:04.530 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:57:04.530 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:57:04.545 CEST 2019: Signal-to-Noise ratio: 1096.19 (6.751 ppm)
Mon May 06 22:57:04.561 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:57:04.561 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:57:04.577 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Mon May 06 22:57:04.639 CEST 2019: Number of Multiplets: 138
Mon May 06 22:57:04.655 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 06 22:57:04.780 CEST 2019: Number of Peak Cluster: 22
Mon May 06 22:57:04.780 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 06 22:57:04.984 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Mon May 06 22:57:05.421 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.42 s.
Mon May 06 22:57:05.468 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 22:57:05.468 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:57:05.500 CEST 2019: Number of consistent PNS: 6
Mon May 06 22:57:05.515 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:57:05.528 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:57:12.380 CEST 2019: Number of ASL: 101
Mon May 06 22:57:12.396 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 6.86 s.
Mon May 06 22:57:13.154 CEST 2019: Elapsed time for evaluation (IN Suite): 0.75 s.
Mon May 06 22:57:13.186 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:57:13.201 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:57:13.954 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Mon May 06 22:57:13.970 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:57:14.001 CEST 2019: CMC-q finished in 10.96 s.
