Mon Jul 04 16:13:42.053 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:13:42.056 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C10_OS_Plate01_C10\1\pdata\1
Mon Jul 04 16:13:42.063 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:13:42.067 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:13:42.070 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:13:42.104 CEST 2022: No HSQC data available
Mon Jul 04 16:13:42.116 CEST 2022: No C13 data available
Mon Jul 04 16:13:42.127 CEST 2022: No HMBC data available
Mon Jul 04 16:13:42.134 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:13:42.154 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:13:42.256 CEST 2022: Structure is used: true
Mon Jul 04 16:13:42.274 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C10_OS_Plate01_C10/1/C10_OS_Plate1_C10-142e836e-86cb-401e-b9ee-81caae318f4b.mol
Mon Jul 04 16:13:42.276 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:13:42.288 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:13:42.290 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:13:42.293 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:13:42.295 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:13:42.298 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:13:42.300 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:13:42.302 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:13:42.306 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:13:42.309 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:13:42.312 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:13:42.314 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:13:42.316 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 16:13:42.319 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:13:42.321 CEST 2022: RMSD noise: 30742686.172 (11.034/10.534)
Mon Jul 04 16:13:42.324 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:13:42.327 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:13:42.331 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:13:42.355 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:13:42.451 CEST 2022: Number of Peaks: (89, 12)
Mon Jul 04 16:13:42.454 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:13:42.456 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:13:43.206 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.75 s.
Mon Jul 04 16:13:43.209 CEST 2022: Signal-to-Noise ratio: 4686.02 (3.581 ppm)
Mon Jul 04 16:13:43.213 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:13:43.215 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:43.217 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.94 s.
Mon Jul 04 16:13:43.238 CEST 2022: Number of Multiplets: 123
Mon Jul 04 16:13:43.241 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:13:43.291 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:13:43.297 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:13:43.309 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:13:43.452 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:13:43.473 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:13:43.478 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:13:43.482 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:13:43.484 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:13:43.487 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:13:43.590 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.10 s.
Mon Jul 04 16:13:43.674 CEST 2022: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon Jul 04 16:13:43.722 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:13:44.076 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:13:44.085 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:13:44.087 CEST 2022: CMC-q finished in 2.03 s.
