Mon Jul 04 16:13:05.079 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:13:05.082 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B9_OS_Plate01_B9\1\pdata\1
Mon Jul 04 16:13:05.089 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:13:05.093 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:13:05.096 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:13:05.130 CEST 2022: No HSQC data available
Mon Jul 04 16:13:05.141 CEST 2022: No C13 data available
Mon Jul 04 16:13:05.153 CEST 2022: No HMBC data available
Mon Jul 04 16:13:05.162 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:13:05.182 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:13:05.270 CEST 2022: Structure is used: true
Mon Jul 04 16:13:05.287 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B9_OS_Plate01_B9/1/B9_OS_Plate1_B9-f4420d4f-f7f6-4b1b-9e43-6f5e49d4c2ce.mol
Mon Jul 04 16:13:05.289 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:13:05.300 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:13:05.303 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:13:05.307 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:13:05.310 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:13:05.312 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:13:05.314 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:13:05.317 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:13:05.322 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:13:05.324 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:13:05.327 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:13:05.329 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:13:05.332 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 16:13:05.334 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:13:05.337 CEST 2022: RMSD noise: 31693410.373 (11.851/11.352)
Mon Jul 04 16:13:05.339 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:13:05.342 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:13:05.345 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:13:05.369 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:13:05.472 CEST 2022: Number of Peaks: (90, 5)
Mon Jul 04 16:13:05.475 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:13:05.478 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:13:06.154 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.67 s.
Mon Jul 04 16:13:06.157 CEST 2022: Signal-to-Noise ratio: 5222.47 (2.230 ppm)
Mon Jul 04 16:13:06.159 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:13:06.162 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:06.164 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.87 s.
Mon Jul 04 16:13:06.190 CEST 2022: Number of Multiplets: 160
Mon Jul 04 16:13:06.193 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:13:06.250 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:13:06.256 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:13:06.274 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:13:06.422 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:13:06.434 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:13:06.439 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:13:06.443 CEST 2022: Number of consistent PNS: 6
Mon Jul 04 16:13:06.446 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:13:06.448 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:13:06.477 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:13:06.511 CEST 2022: Elapsed time for evaluation (IN Suite): 0.03 s.
Mon Jul 04 16:13:06.563 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:13:06.936 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:13:06.957 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:06.959 CEST 2022: CMC-q finished in 1.88 s.
