Wed May 08 16:14:04.464 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:14:04.480 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_D09\1\pdata\1
Wed May 08 16:14:04.495 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:14:04.511 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:14:04.527 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:14:04.558 CEST 2019: No HSQC data available
Wed May 08 16:14:04.589 CEST 2019: No C13 data available
Wed May 08 16:14:04.620 CEST 2019: No HMBC data available
Wed May 08 16:14:04.636 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:14:04.683 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:14:05.092 CEST 2019: Structure is used: true
Wed May 08 16:14:05.123 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_D09/1/D09.mol
Wed May 08 16:14:05.139 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Wed May 08 16:14:05.154 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:14:05.170 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:14:05.170 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:14:05.185 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:14:05.185 CEST 2019: Spectrum is suppressed.
Wed May 08 16:14:05.201 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:14:05.217 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:14:05.217 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:14:05.232 CEST 2019: Expected impurity: TSP
Wed May 08 16:14:05.248 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:14:05.248 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]
Wed May 08 16:14:05.264 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]
Wed May 08 16:14:05.279 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:14:05.279 CEST 2019: RMSD noise: 647.946 (8.886/8.386)
Wed May 08 16:14:05.295 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:14:05.310 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:14:05.310 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:14:05.373 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 16:14:05.529 CEST 2019: Number of Peaks: (27, 4)
Wed May 08 16:14:05.545 CEST 2019: Elapsed time for evaluation (PP Suite): 0.16 s.
Wed May 08 16:14:05.576 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:14:05.576 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:14:05.592 CEST 2019: Signal-to-Noise ratio: 1270.27 (1.195 ppm)
Wed May 08 16:14:05.592 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:14:05.607 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:14:05.623 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Wed May 08 16:14:05.654 CEST 2019: Number of Multiplets: 50
Wed May 08 16:14:05.654 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:14:05.732 CEST 2019: Number of Peak Cluster: 10
Wed May 08 16:14:05.732 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 16:14:05.818 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Wed May 08 16:14:06.209 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.38 s.
Wed May 08 16:14:06.240 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:14:06.256 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:14:06.272 CEST 2019: Number of consistent PNS: 2
Wed May 08 16:14:06.272 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:14:06.294 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:14:06.309 CEST 2019: Number of ASL: 2
Wed May 08 16:14:06.309 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Wed May 08 16:14:06.341 CEST 2019: Elapsed time for evaluation (IN Suite): 0.02 s.
Wed May 08 16:14:06.372 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:14:07.211 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 16:14:07.227 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:14:07.242 CEST 2019: CMC-q finished in 2.78 s.
