Wed May 08 11:35:59.686 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:35:59.686 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_89\1\pdata\1
Wed May 08 11:35:59.717 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:35:59.733 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:35:59.733 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:35:59.780 CEST 2019: No HSQC data available
Wed May 08 11:35:59.827 CEST 2019: No C13 data available
Wed May 08 11:35:59.858 CEST 2019: No HMBC data available
Wed May 08 11:35:59.873 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 11:35:59.936 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:36:00.423 CEST 2019: Structure is used: true
Wed May 08 11:36:00.454 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_89/1/H05.mol
Wed May 08 11:36:00.469 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.51 s.
Wed May 08 11:36:00.499 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 11:36:00.515 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:36:00.515 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:36:00.531 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:36:00.531 CEST 2019: Spectrum is suppressed.
Wed May 08 11:36:00.546 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:36:00.562 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:36:00.577 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:36:00.593 CEST 2019: Expected impurity: TSP
Wed May 08 11:36:00.593 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:36:00.610 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 11:36:00.610 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 11:36:00.626 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:36:00.641 CEST 2019: RMSD noise: 639.232 (-0.812/-1.312)
Wed May 08 11:36:00.641 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:36:00.657 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:36:00.672 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:36:00.718 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:36:00.923 CEST 2019: Number of Peaks: (35, 6)
Wed May 08 11:36:00.954 CEST 2019: Elapsed time for evaluation (PP Suite): 0.22 s.
Wed May 08 11:36:00.954 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:36:00.970 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:36:00.985 CEST 2019: Signal-to-Noise ratio: 2951.19 (3.866 ppm)
Wed May 08 11:36:00.985 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:36:01.001 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:36:01.016 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 11:36:01.048 CEST 2019: Number of Multiplets: 64
Wed May 08 11:36:01.063 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 11:36:01.153 CEST 2019: Number of Peak Cluster: 15
Wed May 08 11:36:01.160 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 11:36:01.287 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 11:36:01.615 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 11:36:01.630 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:36:01.630 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:36:01.646 CEST 2019: Number of consistent PNS: 3
Wed May 08 11:36:01.661 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:36:01.677 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:36:01.724 CEST 2019: Number of ASL: 26
Wed May 08 11:36:01.724 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Wed May 08 11:36:01.802 CEST 2019: Elapsed time for evaluation (IN Suite): 0.06 s.
Wed May 08 11:36:01.851 CEST 2019: CMC-assist project state: AutoGiveup
Wed May 08 11:36:01.851 CEST 2019: Initial Check Not Passed! GIVE_UP: SW 
Wed May 08 11:36:01.867 CEST 2019: GIVE_UP: SW
Wed May 08 11:36:01.882 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:36:02.680 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 11:36:02.712 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:36:02.712 CEST 2019: CMC-q finished in 3.03 s.
