Mon Jul 04 16:11:03.614 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:11:03.617 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H3_OS_Plate01_H3\1\pdata\1
Mon Jul 04 16:11:03.625 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:11:03.629 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:11:03.632 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:11:04.181 CEST 2022: No HSQC data available
Mon Jul 04 16:11:04.193 CEST 2022: No C13 data available
Mon Jul 04 16:11:04.204 CEST 2022: No HMBC data available
Mon Jul 04 16:11:04.212 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:11:04.229 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:11:04.385 CEST 2022: Structure is used: true
Mon Jul 04 16:11:04.388 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H3_OS_Plate01_H3/1/H3_OS_Plate1_H3-f2af5c1b-849d-4c30-b4ce-4dca6e4bff0f.mol
Mon Jul 04 16:11:04.391 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 16:11:04.398 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:11:04.400 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:11:04.423 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.02 s.
Mon Jul 04 16:11:04.425 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:11:04.428 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:11:04.430 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:11:04.432 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:11:04.437 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:11:04.439 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:11:04.442 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:11:04.444 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:11:04.447 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 16:11:04.449 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:11:04.452 CEST 2022: RMSD noise: 32287458.178 (9.400/8.900)
Mon Jul 04 16:11:04.454 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:11:04.457 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:11:04.461 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:11:04.485 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:11:04.581 CEST 2022: Number of Peaks: (99, 13)
Mon Jul 04 16:11:04.589 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:11:04.616 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:11:04.656 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:11:04.659 CEST 2022: Signal-to-Noise ratio: 5984.44 (7.375 ppm)
Mon Jul 04 16:11:04.662 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:11:04.664 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:04.666 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:11:04.716 CEST 2022: Number of Multiplets: 216
Mon Jul 04 16:11:04.719 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon Jul 04 16:11:05.076 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:11:05.083 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.36 s.
Mon Jul 04 16:11:05.130 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Mon Jul 04 16:11:05.263 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:11:05.269 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:11:05.274 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:11:05.279 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:11:05.281 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:11:05.289 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon Jul 04 16:11:05.340 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 16:11:05.579 CEST 2022: Elapsed time for evaluation (IN Suite): 0.24 s.
Mon Jul 04 16:11:05.628 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:11:05.962 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:11:05.965 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:11:05.967 CEST 2022: CMC-q finished in 2.35 s.
