Mon May 06 23:12:56.290 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:12:56.306 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\16\pdata\1
Mon May 06 23:12:56.321 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:12:56.337 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:12:56.353 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:12:56.368 CEST 2019: No HSQC data available
Mon May 06 23:12:56.384 CEST 2019: No C13 data available
Mon May 06 23:12:56.415 CEST 2019: No HMBC data available
Mon May 06 23:12:56.431 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:12:56.480 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:12:57.075 CEST 2019: Structure is used: true
Mon May 06 23:12:57.091 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/16/B04.mol
Mon May 06 23:12:57.107 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.62 s.
Mon May 06 23:12:57.122 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:12:57.138 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:12:57.153 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:12:57.153 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:12:57.169 CEST 2019: Spectrum is suppressed.
Mon May 06 23:12:57.169 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:12:57.185 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:12:57.200 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:12:57.216 CEST 2019: Expected impurity: TSP
Mon May 06 23:12:57.216 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:12:57.232 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 23:12:57.247 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 23:12:57.247 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:12:57.263 CEST 2019: RMSD noise: 748.798 (5.250/4.751)
Mon May 06 23:12:57.278 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:12:57.278 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:12:57.294 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:12:57.341 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:12:57.560 CEST 2019: Number of Peaks: (56, 20)
Mon May 06 23:12:57.575 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Mon May 06 23:12:57.591 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:12:57.608 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:12:57.608 CEST 2019: Signal-to-Noise ratio: 806.32 (7.118 ppm)
Mon May 06 23:12:57.623 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:12:57.639 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:12:57.639 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Mon May 06 23:12:57.686 CEST 2019: Number of Multiplets: 89
Mon May 06 23:12:57.686 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:12:57.780 CEST 2019: Number of Peak Cluster: 19
Mon May 06 23:12:57.795 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 06 23:12:57.843 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon May 06 23:12:58.218 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Mon May 06 23:12:58.250 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 23:12:58.265 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:12:58.281 CEST 2019: Number of consistent PNS: 4
Mon May 06 23:12:58.281 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:12:58.296 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:13:07.582 CEST 2019: Number of ASL: 603
Mon May 06 23:13:07.614 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 9.32 s.
Mon May 06 23:13:08.113 CEST 2019: Elapsed time for evaluation (IN Suite): 0.48 s.
Mon May 06 23:13:08.129 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:13:08.145 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:13:08.885 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.78 s.
Mon May 06 23:13:08.901 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:13:08.917 CEST 2019: CMC-q finished in 12.63 s.
