Mon Jul 04 16:39:59.365 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:39:59.367 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B1_OS_Plate04_B1\1\pdata\1
Mon Jul 04 16:39:59.374 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:39:59.378 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:39:59.381 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:39:59.424 CEST 2022: No HSQC data available
Mon Jul 04 16:39:59.440 CEST 2022: No C13 data available
Mon Jul 04 16:39:59.454 CEST 2022: No HMBC data available
Mon Jul 04 16:39:59.468 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:39:59.489 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:39:59.583 CEST 2022: Structure is used: true
Mon Jul 04 16:39:59.586 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B1_OS_Plate04_B1/1/B1_OS_Plate04_B1-4a66cf59-dfbc-4b1a-8a70-b007761b0cd2.mol
Mon Jul 04 16:39:59.589 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:39:59.600 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:39:59.602 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:39:59.605 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:39:59.608 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:39:59.610 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:39:59.612 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:39:59.615 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:39:59.619 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:39:59.621 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:39:59.624 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:39:59.627 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:39:59.629 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 16:39:59.631 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:39:59.634 CEST 2022: RMSD noise: 31110808.606 (9.400/8.900)
Mon Jul 04 16:39:59.636 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:39:59.639 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:39:59.643 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:39:59.666 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:39:59.995 CEST 2022: Number of Peaks: (60, 31)
Mon Jul 04 16:40:00.034 CEST 2022: Elapsed time for evaluation (PP Suite): 0.37 s.
Mon Jul 04 16:40:00.037 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:40:00.050 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:40:00.053 CEST 2022: Signal-to-Noise ratio: 11667.49 (4.855 ppm)
Mon Jul 04 16:40:00.056 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:40:00.058 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:00.061 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.47 s.
Mon Jul 04 16:40:00.074 CEST 2022: Number of Multiplets: 100
Mon Jul 04 16:40:00.076 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:40:00.597 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:40:00.604 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.53 s.
Mon Jul 04 16:40:00.608 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:40:00.740 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:40:00.744 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:40:00.748 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:40:00.751 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:40:00.754 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:00.758 CEST 2022: Number of consistent PNS: 35
Mon Jul 04 16:40:00.761 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:00.769 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon Jul 04 16:40:00.772 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:01.122 CEST 2022: Elapsed time for evaluation (BU Suite): 0.37 s.
Mon Jul 04 16:40:01.172 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:40:01.175 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:40:01.521 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:40:01.524 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:01.526 CEST 2022: CMC-q finished in 2.16 s.
