Mon Jul 04 16:33:28.566 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:33:28.569 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C1_OS_Plate03_C1\1\pdata\1
Mon Jul 04 16:33:28.577 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:33:28.580 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:33:28.583 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:33:28.628 CEST 2022: No HSQC data available
Mon Jul 04 16:33:28.639 CEST 2022: No C13 data available
Mon Jul 04 16:33:28.650 CEST 2022: No HMBC data available
Mon Jul 04 16:33:28.660 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:33:28.684 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:33:28.800 CEST 2022: Structure is used: true
Mon Jul 04 16:33:28.820 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C1_OS_Plate03_C1/1/C1_OS_Plate03_C1-a10ddfa0-5281-4518-b405-190690ea9dde.mol
Mon Jul 04 16:33:28.822 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:33:29.103 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:33:29.106 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.28 s.
Mon Jul 04 16:33:29.109 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:33:29.112 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:33:29.114 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:33:29.117 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:33:29.120 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:33:29.124 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:33:29.127 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:33:29.130 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:33:29.132 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:33:29.135 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 16:33:29.137 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:33:29.140 CEST 2022: RMSD noise: 31520416.880 (-1.222/-1.722)
Mon Jul 04 16:33:29.142 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:33:29.145 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:33:29.149 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:33:29.173 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:33:29.247 CEST 2022: Number of Peaks: (60, 2)
Mon Jul 04 16:33:29.250 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:33:29.253 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:33:29.267 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:33:29.270 CEST 2022: Signal-to-Noise ratio: 859.49 (6.952 ppm)
Mon Jul 04 16:33:29.273 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:33:29.275 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:29.278 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.45 s.
Mon Jul 04 16:33:29.293 CEST 2022: Number of Multiplets: 103
Mon Jul 04 16:33:29.296 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:33:29.335 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:33:29.341 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:33:29.358 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:33:29.478 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:33:29.486 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:33:29.491 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:33:29.496 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:33:29.498 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:33:29.502 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:33:29.523 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Mon Jul 04 16:33:29.693 CEST 2022: Elapsed time for evaluation (IN Suite): 0.15 s.
Mon Jul 04 16:33:29.746 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:33:30.116 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:33:30.120 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:33:30.122 CEST 2022: CMC-q finished in 1.56 s.
