Mon May 13 14:01:26.239 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:01:26.249 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_C03\1\pdata\1
Mon May 13 14:01:26.269 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:01:26.280 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:01:26.298 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:01:26.318 CEST 2019: No HSQC data available
Mon May 13 14:01:26.349 CEST 2019: No C13 data available
Mon May 13 14:01:26.368 CEST 2019: No HMBC data available
Mon May 13 14:01:26.380 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:01:26.439 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:01:27.180 CEST 2019: Structure is used: true
Mon May 13 14:01:27.213 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_C03/1/0110706021.mol
Mon May 13 14:01:27.223 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.77 s.
Mon May 13 14:01:27.243 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:01:27.251 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:01:27.263 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:01:27.273 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:01:27.283 CEST 2019: Spectrum is suppressed.
Mon May 13 14:01:27.291 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:01:27.302 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:01:27.312 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:01:27.329 CEST 2019: Expected impurity: TSP
Mon May 13 14:01:27.338 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:01:27.348 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 14:01:27.359 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 14:01:27.369 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:01:27.378 CEST 2019: RMSD noise: 664.082 (5.250/4.751)
Mon May 13 14:01:27.388 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:01:27.399 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:01:27.408 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:01:27.456 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 14:01:27.923 CEST 2019: Number of Peaks: (76, 34)
Mon May 13 14:01:27.928 CEST 2019: Elapsed time for evaluation (PP Suite): 0.47 s.
Mon May 13 14:01:27.939 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:01:27.949 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:01:27.969 CEST 2019: Signal-to-Noise ratio: 837.15 (8.179 ppm)
Mon May 13 14:01:27.978 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:01:27.989 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:01:27.999 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.77 s.
Mon May 13 14:01:28.343 CEST 2019: Number of Multiplets: 210
Mon May 13 14:01:28.348 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.35 s.
Mon May 13 14:01:28.914 CEST 2019: Number of Peak Cluster: 15
Mon May 13 14:01:28.919 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.56 s.
Mon May 13 14:01:29.134 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.20 s.
Mon May 13 14:01:29.813 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.67 s.
Mon May 13 14:01:29.864 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:01:29.879 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:01:29.888 CEST 2019: Number of consistent PNS: 2
Mon May 13 14:01:29.899 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:01:30.169 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.25 s.
Mon May 13 14:01:34.883 CEST 2019: Number of ASL: 30
Mon May 13 14:01:34.900 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 4.72 s.
Mon May 13 14:01:37.803 CEST 2019: Elapsed time for evaluation (IN Suite): 2.89 s.
Mon May 13 14:01:37.829 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:01:37.838 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:01:38.674 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Mon May 13 14:01:38.684 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:01:38.694 CEST 2019: CMC-q finished in 12.46 s.
