Mon Jul 04 16:50:46.897 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:46.899 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H3_OS_Plate06_H3\1\pdata\1
Mon Jul 04 16:50:46.906 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:46.910 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:46.912 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:46.974 CEST 2022: No HSQC data available
Mon Jul 04 16:50:46.984 CEST 2022: No C13 data available
Mon Jul 04 16:50:46.994 CEST 2022: No HMBC data available
Mon Jul 04 16:50:47.002 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:50:47.021 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:50:47.099 CEST 2022: Structure is used: true
Mon Jul 04 16:50:47.102 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H3_OS_Plate06_H3/1/H3_OS_Plate06_H3-2dc0f2b3-0096-45b7-aea5-705a63c7ddc0.mol
Mon Jul 04 16:50:47.105 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:50:47.111 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:47.113 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:50:47.116 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:47.118 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:47.121 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:47.123 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:47.125 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:47.130 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:47.132 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:47.135 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:47.137 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:47.140 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 16:50:47.142 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:47.144 CEST 2022: RMSD noise: 33454390.044 (-0.405/-0.905)
Mon Jul 04 16:50:47.147 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:47.149 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:47.153 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:47.177 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:47.296 CEST 2022: Number of Peaks: (124, 33)
Mon Jul 04 16:50:47.299 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:50:47.301 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:47.310 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:50:47.313 CEST 2022: Signal-to-Noise ratio: 13411.19 (7.485 ppm)
Mon Jul 04 16:50:47.316 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:47.318 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:47.321 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:50:47.338 CEST 2022: Number of Multiplets: 120
Mon Jul 04 16:50:47.341 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:50:48.329 CEST 2022: Number of Peak Cluster: 45
Mon Jul 04 16:50:48.355 CEST 2022: Elapsed time for evaluation (PCG Suite): 1.01 s.
Mon Jul 04 16:50:48.362 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:50:48.520 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:50:48.528 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:50:48.533 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:48.538 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:50:48.540 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:48.543 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:48.685 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.14 s.
Mon Jul 04 16:50:48.768 CEST 2022: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon Jul 04 16:50:48.820 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:49.173 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:50:49.176 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:49.179 CEST 2022: CMC-q finished in 2.28 s.
