Mon Jul 04 16:48:44.031 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:48:44.034 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H8_OS_Plate05_H8\1\pdata\1
Mon Jul 04 16:48:44.041 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:48:44.045 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:48:44.048 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:48:44.077 CEST 2022: No HSQC data available
Mon Jul 04 16:48:44.087 CEST 2022: No C13 data available
Mon Jul 04 16:48:44.097 CEST 2022: No HMBC data available
Mon Jul 04 16:48:44.104 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:48:44.122 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:48:44.216 CEST 2022: Structure is used: true
Mon Jul 04 16:48:44.233 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H8_OS_Plate05_H8/1/8_OS_Plate05_H8.mol
Mon Jul 04 16:48:44.236 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:48:44.241 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:48:44.244 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:48:44.247 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:48:44.249 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:48:44.251 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:48:44.253 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:48:44.256 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:48:44.260 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:48:44.262 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:48:44.266 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:48:44.268 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:48:44.271 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 16:48:44.273 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:48:44.275 CEST 2022: RMSD noise: 29678397.940 (-2.860/-3.360)
Mon Jul 04 16:48:44.278 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:48:44.281 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:48:44.285 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:48:44.308 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:48:44.375 CEST 2022: Number of Peaks: (52, 9)
Mon Jul 04 16:48:44.379 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:48:44.381 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:48:44.389 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:48:44.392 CEST 2022: Signal-to-Noise ratio: 2030.05 (7.825 ppm)
Mon Jul 04 16:48:44.394 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:48:44.397 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:44.399 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.16 s.
Mon Jul 04 16:48:44.409 CEST 2022: Number of Multiplets: 79
Mon Jul 04 16:48:44.412 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:48:44.453 CEST 2022: Number of Peak Cluster: 26
Mon Jul 04 16:48:44.458 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:48:44.466 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:48:44.584 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:48:44.591 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:48:44.595 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:48:44.599 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:48:44.601 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:48:44.604 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:48:44.619 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:48:44.646 CEST 2022: Elapsed time for evaluation (IN Suite): 0.02 s.
Mon Jul 04 16:48:44.697 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:48:45.051 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:48:45.071 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:48:45.074 CEST 2022: CMC-q finished in 1.04 s.
