Mon Jul 04 16:18:36.314 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:18:36.316 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H9_OS_Plate09_H9\1\pdata\1
Mon Jul 04 16:18:36.323 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:18:36.327 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:18:36.330 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:18:36.356 CEST 2022: No HSQC data available
Mon Jul 04 16:18:36.367 CEST 2022: No C13 data available
Mon Jul 04 16:18:36.378 CEST 2022: No HMBC data available
Mon Jul 04 16:18:36.385 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:18:36.401 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:18:36.534 CEST 2022: Structure is used: true
Mon Jul 04 16:18:36.537 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H9_OS_Plate09_H9/1/H9_OS_Plate9_H9-73748f71-d9d6-4c5c-95c7-b807cb93a00a.mol
Mon Jul 04 16:18:36.540 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:18:36.546 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:18:36.548 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:18:36.551 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:18:36.553 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:18:36.556 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:18:36.558 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:18:36.560 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:18:36.565 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:18:36.567 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:18:36.570 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:18:36.572 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:18:36.575 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 16:18:36.577 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:18:36.579 CEST 2022: RMSD noise: 29760550.001 (-2.860/-3.359)
Mon Jul 04 16:18:36.582 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:18:36.584 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:18:36.588 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:18:36.613 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:18:36.709 CEST 2022: Number of Peaks: (85, 5)
Mon Jul 04 16:18:36.733 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:18:36.736 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:18:36.781 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:18:36.784 CEST 2022: Signal-to-Noise ratio: 16631.98 (2.735 ppm)
Mon Jul 04 16:18:36.786 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:18:36.789 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:18:36.791 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:18:36.809 CEST 2022: Number of Multiplets: 125
Mon Jul 04 16:18:36.812 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:18:36.864 CEST 2022: Number of Peak Cluster: 34
Mon Jul 04 16:18:36.870 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:18:36.891 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:18:37.016 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:18:37.021 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:18:37.027 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:18:37.030 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:18:37.033 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:18:37.037 CEST 2022: Number of consistent PNS: 25
Mon Jul 04 16:18:37.039 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:18:37.043 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:18:37.045 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:18:37.584 CEST 2022: Elapsed time for evaluation (BU Suite): 0.55 s.
Mon Jul 04 16:18:37.633 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:18:37.636 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:18:37.970 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:18:37.974 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:18:37.976 CEST 2022: CMC-q finished in 1.66 s.
