Mon Jul 04 16:46:09.336 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:46:09.339 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H2_OS_Plate05_H2\1\pdata\1
Mon Jul 04 16:46:09.347 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:46:09.350 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:46:09.353 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:46:09.377 CEST 2022: No HSQC data available
Mon Jul 04 16:46:09.391 CEST 2022: No C13 data available
Mon Jul 04 16:46:09.405 CEST 2022: No HMBC data available
Mon Jul 04 16:46:09.412 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:46:09.431 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:46:09.539 CEST 2022: Structure is used: true
Mon Jul 04 16:46:09.542 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H2_OS_Plate05_H2/1/2_OS_Plate05_H2.mol
Mon Jul 04 16:46:09.545 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:46:09.551 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:46:09.554 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:46:09.557 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:46:09.560 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:46:09.562 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:46:09.565 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:46:09.567 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:46:09.572 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:46:09.574 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:46:09.578 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:46:09.580 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:46:09.583 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 16:46:09.585 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:46:09.588 CEST 2022: RMSD noise: 30638220.496 (-0.405/-0.905)
Mon Jul 04 16:46:09.590 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:46:09.593 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:46:09.597 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:46:09.622 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:46:09.751 CEST 2022: Number of Peaks: (130, 13)
Mon Jul 04 16:46:09.773 CEST 2022: Elapsed time for evaluation (PP Suite): 0.15 s.
Mon Jul 04 16:46:09.775 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:46:09.784 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:46:09.787 CEST 2022: Signal-to-Noise ratio: 3345.37 (1.426 ppm)
Mon Jul 04 16:46:09.790 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:46:09.792 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:09.795 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:46:09.835 CEST 2022: Number of Multiplets: 204
Mon Jul 04 16:46:09.838 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:46:09.905 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:46:09.911 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:46:09.929 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:46:10.102 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:46:10.111 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:46:10.116 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:46:10.120 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:46:10.123 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:46:10.128 CEST 2022: Number of consistent PNS: 25
Mon Jul 04 16:46:10.130 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:46:10.135 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:46:10.138 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:11.112 CEST 2022: Elapsed time for evaluation (BU Suite): 0.99 s.
Mon Jul 04 16:46:11.162 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:46:11.165 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:46:11.527 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:46:11.530 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:46:11.532 CEST 2022: CMC-q finished in 2.20 s.
