Wed May 08 09:35:10.656 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:35:10.662 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_88\1\pdata\1
Wed May 08 09:35:10.678 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:35:10.693 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:35:10.693 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:35:10.725 CEST 2019: No HSQC data available
Wed May 08 09:35:10.740 CEST 2019: No C13 data available
Wed May 08 09:35:10.762 CEST 2019: No HMBC data available
Wed May 08 09:35:10.762 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:35:10.809 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:35:11.318 CEST 2019: Structure is used: true
Wed May 08 09:35:11.337 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_88/1/32.mol
Wed May 08 09:35:11.352 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.53 s.
Wed May 08 09:35:11.368 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:35:11.368 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:35:11.383 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:35:11.383 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:35:11.399 CEST 2019: Spectrum is suppressed.
Wed May 08 09:35:11.415 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:35:11.415 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:35:11.430 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:35:11.437 CEST 2019: Expected impurity: TSP
Wed May 08 09:35:11.437 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:35:11.452 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 09:35:11.452 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 09:35:11.468 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:35:11.484 CEST 2019: RMSD noise: 660.686 (10.098/9.598)
Wed May 08 09:35:11.484 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:35:11.499 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:35:11.499 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:35:11.537 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:35:11.738 CEST 2019: Number of Peaks: (66, 29)
Wed May 08 09:35:11.753 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Wed May 08 09:35:11.753 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:35:11.769 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:35:11.785 CEST 2019: Signal-to-Noise ratio: 1043.98 (7.320 ppm)
Wed May 08 09:35:11.785 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:35:11.800 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:35:11.800 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Wed May 08 09:35:11.885 CEST 2019: Number of Multiplets: 193
Wed May 08 09:35:11.885 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 09:35:12.001 CEST 2019: Number of Peak Cluster: 21
Wed May 08 09:35:12.001 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 09:35:12.155 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 09:35:12.456 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 09:35:12.487 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 09:35:12.502 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:35:12.518 CEST 2019: Number of consistent PNS: 5
Wed May 08 09:35:12.534 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:35:12.540 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 09:35:29.910 CEST 2019: Number of ASL: 434
Wed May 08 09:35:29.942 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 17.38 s.
Wed May 08 09:35:30.410 CEST 2019: Elapsed time for evaluation (IN Suite): 0.47 s.
Wed May 08 09:35:30.441 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:35:30.441 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:35:31.035 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 09:35:31.066 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:35:31.066 CEST 2019: CMC-q finished in 20.41 s.
