Wed May 08 10:48:34.210 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:48:34.228 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_31\1\pdata\1
Wed May 08 10:48:34.250 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:48:34.261 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:48:34.271 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:48:34.301 CEST 2019: No HSQC data available
Wed May 08 10:48:34.341 CEST 2019: No C13 data available
Wed May 08 10:48:34.372 CEST 2019: No HMBC data available
Wed May 08 10:48:34.382 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:48:34.443 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 10:48:35.041 CEST 2019: Structure is used: true
Wed May 08 10:48:35.071 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_31/1/C07.mol
Wed May 08 10:48:35.079 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.62 s.
Wed May 08 10:48:35.102 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 10:48:35.111 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:48:35.121 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:48:35.132 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:48:35.142 CEST 2019: Spectrum is suppressed.
Wed May 08 10:48:35.152 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:48:35.162 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:48:35.170 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:48:35.190 CEST 2019: Expected impurity: TSP
Wed May 08 10:48:35.192 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:48:35.202 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 10:48:35.212 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 10:48:35.222 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:48:35.232 CEST 2019: RMSD noise: 665.782 (10.704/10.204)
Wed May 08 10:48:35.243 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:48:35.253 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:48:35.273 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:48:35.323 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 10:48:35.546 CEST 2019: Number of Peaks: (37, 13)
Wed May 08 10:48:35.565 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 10:48:35.577 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:48:35.587 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:48:35.597 CEST 2019: Signal-to-Noise ratio: 1270.06 (6.955 ppm)
Wed May 08 10:48:35.607 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:48:35.617 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:48:35.627 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 10:48:35.658 CEST 2019: Number of Multiplets: 49
Wed May 08 10:48:35.668 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 10:48:35.737 CEST 2019: Number of Peak Cluster: 15
Wed May 08 10:48:35.752 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 10:48:35.815 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 10:48:36.193 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 10:48:36.211 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:48:36.223 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:48:36.233 CEST 2019: Number of consistent PNS: 2
Wed May 08 10:48:36.243 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 10:48:36.261 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:48:36.284 CEST 2019: Number of ASL: 4
Wed May 08 10:48:36.294 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Wed May 08 10:48:36.324 CEST 2019: Elapsed time for evaluation (IN Suite): 0.02 s.
Wed May 08 10:48:36.355 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:48:37.148 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Wed May 08 10:48:37.164 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:48:37.180 CEST 2019: CMC-q finished in 2.97 s.
