Mon Jul 04 16:34:59.053 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:34:59.056 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D4_OS_Plate03_D4\1\pdata\1
Mon Jul 04 16:34:59.064 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:34:59.068 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:34:59.070 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:34:59.625 CEST 2022: No HSQC data available
Mon Jul 04 16:34:59.641 CEST 2022: No C13 data available
Mon Jul 04 16:34:59.656 CEST 2022: No HMBC data available
Mon Jul 04 16:34:59.665 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:34:59.830 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.16 s.
Mon Jul 04 16:34:59.984 CEST 2022: Structure is used: true
Mon Jul 04 16:35:00.018 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D4_OS_Plate03_D4/1/D4_OS_Plate03_D4-fe07a08c-bc1a-44b2-994f-cd6d2e7896ee.mol
Mon Jul 04 16:35:00.021 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.19 s.
Mon Jul 04 16:35:00.303 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:35:00.306 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.28 s.
Mon Jul 04 16:35:00.310 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:35:00.312 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:35:00.315 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:35:00.318 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:35:00.320 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:35:00.325 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:35:00.328 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:35:00.331 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:35:00.333 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:35:00.336 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:35:00.338 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:35:00.341 CEST 2022: RMSD noise: 31272960.945 (6.132/5.632)
Mon Jul 04 16:35:00.344 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:35:00.347 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:35:00.351 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:35:00.375 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:35:00.460 CEST 2022: Number of Peaks: (69, 22)
Mon Jul 04 16:35:00.463 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:35:00.466 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:35:00.723 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.25 s.
Mon Jul 04 16:35:00.726 CEST 2022: Signal-to-Noise ratio: 417.81 (0.797 ppm)
Mon Jul 04 16:35:00.730 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:35:00.732 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:00.735 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.71 s.
Mon Jul 04 16:35:00.751 CEST 2022: Number of Multiplets: 114
Mon Jul 04 16:35:00.754 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:35:00.800 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:35:00.808 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:35:00.817 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:35:00.962 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:35:00.968 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:35:00.973 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:35:00.977 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:35:00.980 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:35:00.986 CEST 2022: Number of consistent PNS: 45
Mon Jul 04 16:35:00.989 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:35:01.000 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon Jul 04 16:35:01.017 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:01.508 CEST 2022: Elapsed time for evaluation (BU Suite): 0.53 s.
Mon Jul 04 16:35:01.567 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:35:01.570 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:35:01.932 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:35:01.936 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:01.938 CEST 2022: CMC-q finished in 2.88 s.
