# ==== setting output and test-flag ==== output := ali_chsqc test_ft := n # test-ft for phasing with XEASY reduce_flag := n # reduce size for test-ft by factor of 2 # ASSUMED TEMPERATURE FOR CALIBRATION: 290.0 # can not read temperature from Eurotherm, # please check sample temperature and chemical shift calibration! # ==== reading of data ==== read vnmr fid 512c 180c byteswap write integer tmp #readkay integer /data/home/aeletski/bruker/800us2_1/DCN_MTase/999/ser 2048c 100c #byteswap readkay integer tmp 512c 180c #reduce 1..1024 #decim = 12 #gdp = 69.551 # group delay in points # ==== setting of parameters ==== #DIMENSION: 1 si(1) = 2048 # frequency domain size aqm(1) := RSH # acquisition mode (ST/TP, TPPI, RSH) w0(1) = 750.5920314 # frequency delta(1) = 0.000083325 # increment in time domain ppmmax(1) = 12.7946 # maximum ppm for calibration #DIMENSION: 2 si(2) = 1024 # frequency domain size aqm(2) := RSH # acquisition mode (ST/TP, TPPI, RSH) w0(2) = 188.7360135 # frequency delta(2) = 0.0000662277 # increment in time domain ppmmax(2) = 75.708 # maximum ppm for calibration ns = 4 # number of scans set dim_order= 1 # order of dimensions set n_dim= 2 window1 := "window cos2" window2 := "window cos2" ph0_d(1) = 52 ph1_d(1) = 0 ph0_d(2) = 94 ph1_d(2) = 0 # ==================== # ==== processing ==== # ==================== dim 1 conjugate #dim 2 #conjugate #suppress cos 16 # ==== ft ==== strip_ft 1 641..1792 #strip_ft 1 1..$si(1) if ('$test_ft'=='y') ft_flatt dim 2 mul 0.5 1 strip_ft 2 1..$si(2) # ==== automatic phasing of direct acquired dimension ==== #if ('$test_ft'=='y') getphase 1 # == baseline correction == if ('$test_ft'!='y') then dimension 1 # cflatt iterative cftw 2 $si(1) cflatt flatt 10 5 polynom 5 dimension 2 cflatt flatt 10 5 polynom 2 end if # == write data == dimension $dim_order scale noise 100 #scalf = 100/$noise #multiply $scalf if ('$test_ft'.eq.'y') then write easy16 {$output}.rr r r byteswap write easy16 {$output}.ri r i byteswap write easy16 {$output}.ir i r byteswap else write easy16 $output byteswap end if #print_info