Mon May 06 22:41:28.389 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:41:28.404 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\13\pdata\1
Mon May 06 22:41:28.420 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:41:28.435 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:41:28.435 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:41:28.467 CEST 2019: No HSQC data available
Mon May 06 22:41:28.482 CEST 2019: No C13 data available
Mon May 06 22:41:28.498 CEST 2019: No HMBC data available
Mon May 06 22:41:28.514 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:41:28.570 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 22:41:29.199 CEST 2019: Structure is used: true
Mon May 06 22:41:29.231 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/13/B01.mol
Mon May 06 22:41:29.231 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Mon May 06 22:41:29.262 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:41:29.262 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:41:29.277 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:41:29.277 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:41:29.293 CEST 2019: Spectrum is suppressed.
Mon May 06 22:41:29.309 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:41:29.309 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:41:29.324 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:41:29.340 CEST 2019: Expected impurity: TSP
Mon May 06 22:41:29.356 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:41:29.368 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 22:41:29.368 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 22:41:29.384 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:41:29.399 CEST 2019: RMSD noise: 662.246 (10.704/10.204)
Mon May 06 22:41:29.399 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:41:29.415 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:41:29.431 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:41:29.478 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:41:29.713 CEST 2019: Number of Peaks: (59, 3)
Mon May 06 22:41:29.729 CEST 2019: Elapsed time for evaluation (PP Suite): 0.24 s.
Mon May 06 22:41:29.729 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:41:29.745 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:41:29.745 CEST 2019: Signal-to-Noise ratio: 371.90 (7.228 ppm)
Mon May 06 22:41:29.760 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:41:29.776 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:41:29.776 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Mon May 06 22:41:29.870 CEST 2019: Number of Multiplets: 87
Mon May 06 22:41:29.901 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.11 s.
Mon May 06 22:41:30.729 CEST 2019: Number of Peak Cluster: 12
Mon May 06 22:41:30.729 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.82 s.
Mon May 06 22:41:30.871 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Mon May 06 22:41:31.310 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Mon May 06 22:41:31.325 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 06 22:41:31.341 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:41:31.356 CEST 2019: Number of consistent PNS: 2
Mon May 06 22:41:31.372 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 22:41:31.388 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 22:41:31.794 CEST 2019: Number of ASL: 158
Mon May 06 22:41:31.809 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.42 s.
Mon May 06 22:41:32.836 CEST 2019: Elapsed time for evaluation (IN Suite): 1.01 s.
Mon May 06 22:41:32.851 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:41:33.650 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 22:41:33.668 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:41:33.678 CEST 2019: CMC-q finished in 5.29 s.
