Mon May 06 22:54:34.343 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:54:34.343 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\52\pdata\1
Mon May 06 22:54:34.374 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:54:34.374 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:54:34.390 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:54:34.421 CEST 2019: No HSQC data available
Mon May 06 22:54:34.437 CEST 2019: No C13 data available
Mon May 06 22:54:34.453 CEST 2019: No HMBC data available
Mon May 06 22:54:34.468 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:54:34.524 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:54:35.244 CEST 2019: Structure is used: true
Mon May 06 22:54:35.260 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/52/E04.mol
Mon May 06 22:54:35.276 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.74 s.
Mon May 06 22:54:35.291 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:54:35.307 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:54:35.307 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:54:35.322 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:54:35.322 CEST 2019: Spectrum is suppressed.
Mon May 06 22:54:35.338 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:54:35.354 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:54:35.354 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:54:35.369 CEST 2019: Expected impurity: TSP
Mon May 06 22:54:35.385 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:54:35.401 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 22:54:35.401 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 22:54:35.416 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 22:54:35.416 CEST 2019: RMSD noise: 695.948 (6.462/5.963)
Mon May 06 22:54:35.432 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:54:35.447 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:54:35.447 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:54:35.494 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:54:35.900 CEST 2019: Number of Peaks: (94, 25)
Mon May 06 22:54:35.932 CEST 2019: Elapsed time for evaluation (PP Suite): 0.42 s.
Mon May 06 22:54:35.932 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:54:35.947 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:54:35.963 CEST 2019: Signal-to-Noise ratio: 1072.48 (1.213 ppm)
Mon May 06 22:54:35.963 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:54:35.978 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:54:35.994 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.71 s.
Mon May 06 22:54:36.121 CEST 2019: Number of Multiplets: 211
Mon May 06 22:54:36.136 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.14 s.
Mon May 06 22:54:36.325 CEST 2019: Number of Peak Cluster: 20
Mon May 06 22:54:36.325 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.18 s.
Mon May 06 22:54:36.388 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Mon May 06 22:54:37.122 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.71 s.
Mon May 06 22:54:37.169 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon May 06 22:54:37.184 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:54:37.200 CEST 2019: Number of consistent PNS: 8
Mon May 06 22:54:37.216 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:54:37.231 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:54:51.149 CEST 2019: Number of ASL: 287
Mon May 06 22:54:51.164 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 13.93 s.
Mon May 06 22:54:51.930 CEST 2019: Elapsed time for evaluation (IN Suite): 0.75 s.
Mon May 06 22:54:51.961 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:54:51.977 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:54:52.758 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 22:54:52.758 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:54:52.774 CEST 2019: CMC-q finished in 18.43 s.
