Mon Jul 04 16:50:54.026 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:54.029 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C4_OS_Plate06_C4\1\pdata\1
Mon Jul 04 16:50:54.037 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:54.040 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:54.043 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:55.529 CEST 2022: No HSQC data available
Mon Jul 04 16:50:55.539 CEST 2022: No C13 data available
Mon Jul 04 16:50:55.549 CEST 2022: No HMBC data available
Mon Jul 04 16:50:55.556 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:50:55.741 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.18 s.
Mon Jul 04 16:50:55.832 CEST 2022: Structure is used: true
Mon Jul 04 16:50:55.835 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C4_OS_Plate06_C4/1/C4_OS_Plate06_C4-f0ff0e3c-2b60-433d-91e0-65c12f9507cc.mol
Mon Jul 04 16:50:55.838 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:50:55.960 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:55.962 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.12 s.
Mon Jul 04 16:50:55.965 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:55.968 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:55.971 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:55.973 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:55.975 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:55.979 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:55.981 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:55.984 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:55.987 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:55.989 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 16:50:55.992 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:55.994 CEST 2022: RMSD noise: 30275950.871 (11.034/10.534)
Mon Jul 04 16:50:55.996 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:55.999 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:56.003 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:56.026 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:56.111 CEST 2022: Number of Peaks: (88, 15)
Mon Jul 04 16:50:56.115 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:50:56.117 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:56.130 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:50:56.133 CEST 2022: Signal-to-Noise ratio: 24901.22 (7.035 ppm)
Mon Jul 04 16:50:56.136 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:56.139 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:56.141 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.30 s.
Mon Jul 04 16:50:56.162 CEST 2022: Number of Multiplets: 84
Mon Jul 04 16:50:56.185 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:50:56.228 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:50:56.234 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:50:56.238 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:50:56.379 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:50:56.383 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:50:56.388 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:56.391 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:50:56.393 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:56.397 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:50:56.399 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:56.402 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:56.404 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:57.032 CEST 2022: Elapsed time for evaluation (BU Suite): 0.64 s.
Mon Jul 04 16:50:57.084 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:50:57.086 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:50:57.418 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:50:57.421 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:57.423 CEST 2022: CMC-q finished in 3.40 s.
