Mon May 13 13:40:42.623 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:40:42.636 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_F02\1\pdata\1
Mon May 13 13:40:42.651 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:40:42.661 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:40:42.671 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:40:42.691 CEST 2019: No HSQC data available
Mon May 13 13:40:42.711 CEST 2019: No C13 data available
Mon May 13 13:40:42.731 CEST 2019: No HMBC data available
Mon May 13 13:40:42.741 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:40:42.781 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:40:43.056 CEST 2019: Structure is used: true
Mon May 13 13:40:43.081 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_F02/1/0110705785.mol
Mon May 13 13:40:43.091 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.30 s.
Mon May 13 13:40:43.101 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:40:43.111 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:40:43.123 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:40:43.131 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:40:43.131 CEST 2019: Spectrum is suppressed.
Mon May 13 13:40:43.141 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:40:43.151 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:40:43.161 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:40:43.171 CEST 2019: Expected impurity: TSP
Mon May 13 13:40:43.181 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:40:43.181 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 13 13:40:43.191 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 13 13:40:43.201 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:40:43.211 CEST 2019: RMSD noise: 738.832 (5.856/5.357)
Mon May 13 13:40:43.211 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:40:43.223 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:40:43.231 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:40:43.271 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:40:43.411 CEST 2019: Number of Peaks: (43, 9)
Mon May 13 13:40:43.421 CEST 2019: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon May 13 13:40:43.424 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:40:43.439 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:40:43.441 CEST 2019: Signal-to-Noise ratio: 2663.68 (2.910 ppm)
Mon May 13 13:40:43.451 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:40:43.461 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:40:43.471 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.37 s.
Mon May 13 13:40:43.516 CEST 2019: Number of Multiplets: 122
Mon May 13 13:40:43.524 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:40:43.591 CEST 2019: Number of Peak Cluster: 14
Mon May 13 13:40:43.601 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Mon May 13 13:40:43.781 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Mon May 13 13:40:44.071 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 13 13:40:44.091 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:40:44.111 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:40:44.121 CEST 2019: Number of consistent PNS: 1
Mon May 13 13:40:44.125 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:40:44.141 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:40:44.161 CEST 2019: Number of ASL: 2
Mon May 13 13:40:44.171 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon May 13 13:40:44.526 CEST 2019: Elapsed time for evaluation (IN Suite): 0.34 s.
Mon May 13 13:40:44.541 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:40:44.551 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:40:45.131 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.60 s.
Mon May 13 13:40:45.141 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:40:45.141 CEST 2019: CMC-q finished in 2.52 s.
