def HC(Unit):
CNCT = pul.GetPar('pHC', "")
plC = pul.GetPar('aChc', Unit)
plH = pul.GetPar('aHhc', Unit)
SPC = pul.GetPar('sChc', "")
SPH = pul.GetPar('sHhc', "")
return CNCT, plH, plC, SPH, SPC
def CC(units):
dfltSP = "square.100"
Title="CC DREAM Input"; SuTit="Carbon Carbon Adiabatic Mixing"
Label=["Carbon B1 Field","C Ramp","Contact Time",\
"H Decoupling"]
In =Title,SuTit,Label
Title="Adjusting the DREAM parameters:"; Label="1H","13C"
Out =Title,Label
Match, Delta, Devia = CMatch() #In Hz
Ramp=pul.GetPar('sCdrm',"")
GoRamp=TopCmds.SELECT("Ramp",\
"Would you like to use the ramp: "+Ramp+\
" \n Or make a new Tangent Ramp?",\
["Use Current","Make New"])
if GoRamp:
SP,Time=MakeRamp(Match,Delta,Devia,"13C")
else:
SP=Ramp; Time=pul.GetPar('pCdrm',"")
CalDREAM('pC90',Match,'aCdrm','aHdrmDC','pCdrm',SP,'sCdrm',dfltSP,units,In,Out)
def HN(Unit):
CNCT = pul.GetPar('pHN', "")
plH = pul.GetPar('aHhn', Unit)
plN = pul.GetPar('aNhn', Unit)
SPN = pul.GetPar('sNhn', "")
SPH = pul.GetPar('sHhn', "")
return CNCT, plH, plN, SPH, SPN
def CA_S90(Unit):
CNCT = pul.GetPar('pCAe', "")
plX = pul.GetPar('aCAe', Unit)
SPX = pul.GetPar('sCAe', "")
OFF = pul.GetPar('oCAe', "")
if SPX == "" or SPX == "None":
SPX = "None"
return CNCT, plX, SPX, OFF
def CO_S180(Unit):
CNCT = pul.GetPar('pCOr', "")
plX = pul.GetPar('aCOr', Unit)
SPX = pul.GetPar('sCOr', "")
OFF = pul.GetPar('oCOr', "")
if SPX == "" or SPX == "None":
SPX = "None"
return CNCT, plX, SPX, OFF
def HN(MAS0, MAS, units):
p90H = pul.GetPar('pH90', "")
ampH = pul.GetPar('aH', units)
SPH = pul.GetPar('sHhn', "")
ampHCP = pul.GetPar('aHhn', units)
avgH = 1.0
p90X = pul.GetPar('pN90', "")
ampX = pul.GetPar('aN', units)
SPX = pul.GetPar('sNhn', "")
ampXCP = pul.GetPar('aNhn', units)
avgX = 1.0
CNCT = pul.GetPar('pHN', "")
params = TopCmds.INPUT_DIALOG("HN CP MAS adjustment", "Proton Nitrogen Cross Polarization", \
["Old MAS rate","New MAS rate","Old 1H power ("+pul.pulDict['aHhc']+")",\
"Old 15N power ("+pul.pulDict['aNhn']+")","Contact Time ("+pul.pulDict['pHN']+")",\
"H-Ramp ("+pul.pulDict['sHhc']+")","N-Ramp ("+pul.pulDict['sChc']+")"],\
[str(MAS0),str(MAS),str(ampXCP),str(ampHCP),str(CNCT),SPH,SPX],\
["Hz","Hz",units,units,"us","",""],\
["1","1","1","1","1","1","1"],\
["Accept","Close"], [spc,ret], 10)
if params == None: TopCmds.EXIT()
if units == "W":
params[2] = str(Setup.WtodB(float(params[2])))
params[3] = str(Setup.WtodB(float(params[3])))
ampH = Setup.WtodB(ampH)
ampX = Setup.WtodB(ampX)
if SPH != "None" and SPH != None and SPH != "Unused":
avgH = IntShape.Integrate(SPH) / 100.
if SPX != "None" and SPX != None and SPX != "Unused":
avgX = IntShape.Integrate(SPX) / 100.
pulses = p90H, ampH, p90X, ampX, avgH, avgX
SelectorText="Adjust the HN CP parameters:","Calculate New Match for:",\
["Proton","Nitrogen","Maximum for Both"]
ampHCP, ampXCP = FindMatch(params, pulses, SelectorText)
if units == "W":
ampXCP = Setup.dBtoW(ampXCP)
ampHCP = Setup.dBtoW(ampHCP)
value = TopCmds.SELECT("Adjusting the HN CP parameters:",\
"This will set\n 1H power to: " + str('%3.2f' %ampHCP)+ " "+units+"\n \
15N power to: " +str('%3.2f' %ampXCP) + " "+units,["Update", "Keep Previous"])
if value != 1:
pul.SetPar('aHhn', ampHCP, units)
pul.SetPar('aNhn', ampXCP, units)
pul.SetPar('pHN', CNCT, "")
pul.SetPar('sHhn', SPH, "")
pul.SetPar('sNhn', SPX, "")
def NH2(Unit):
CNCT = pul.GetPar('pNH2', "")
plH = pul.GetPar('aHnh2', Unit)
plN = pul.GetPar('aNnh2', Unit)
SPX = "None"
SPX = pul.GetPar('sHnh2', "")
if SPX == "" or SPX == "None":
SPX = "None"
SPY = "None"
SPY = pul.GetPar('sNnh2', "")
if SPY == "" or SPY == "None":
SPY = "None"
return CNCT, plH, plN, SPX, SPY
def CH2(Unit):
CNCT = pul.GetPar('pCH2', "")
plC = pul.GetPar('aCch2', Unit)
plH = pul.GetPar('aHch2', Unit)
SPX = "None"
SPX = pul.GetPar('sHch2', "")
if SPX == "" or SPX == "None":
SPX = "None"
SPY = "None"
SPY = pul.GetPar('sCch2', "")
if SPY == "" or SPY == "None":
SPY = "None"
return CNCT, plH, plC, SPX, SPY
def hhC(Unit):
CNCT = pul.GetPar('phhC', "")
plH = pul.GetPar('aHhhc', Unit)
plC = pul.GetPar('aChhc', Unit)
SPX = "None"
SPX = pul.GetPar('sHhhC', "")
if SPX == "" or SPX == "None":
SPX = "None"
SPY = "None"
SPY = pul.GetPar('sChhC', "")
if SPY == "" or SPY == "None":
SPY = "None"
return CNCT, plH, plC, SPX, SPY
def LoadFromData(units):
p90H = pul.GetPar('pH90', "")
p90C = pul.GetPar('pC90', "")
p90N = pul.GetPar('pN90', "")
ampH = pul.GetPar('aH', units)
ampC = pul.GetPar('aC', units)
ampN = pul.GetPar('aN', units)
MAS = pul.GetPar('MAS', "")
index = TopCmds.INPUT_DIALOG("Mr Setup Input", "Pulse Widths and Power", \
["1H 90 pw","1H ampl","13C 90 pw","13C ampl","15N 90 pw","15N ampl","MAS"],\
[str('%.2f' %p90H),str('%.2f' %ampH),str('%.2f' %p90C),str('%.2f' %ampC),str('%.2f' %p90N),str('%.2f' %ampN),str('%.2f' %MAS)],\
["us",units,"us",units,"us",units," Hz"],\
["1","1","1","1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
p90H = float(index[0])
ampH = float(index[1])
p90C = float(index[2])
ampC = float(index[3])
p90N = float(index[4])
ampN = float(index[5])
MAS = float(index[6])
TauR = 1000000. / MAS
PutPars(p90H, ampH, p90C, ampC, p90N, ampN, MAS, units)
def SPC5_2(units):
p90 = pul.GetPar('pC90', "")
amp = pul.GetPar('aC', units)
MAS = pul.GetPar('MAS', "")
if units == "W":
amp = WtodB(amp)
MaxB1 = 1000000. / 4. / p90
C5B1 = 5.0 * MAS
adjust = 20 * (math.log10(C5B1 / MaxB1))
Condition = amp - adjust
if units == "W":
Condition = dBtoW(Condition)
pul.SetPar('aCc5', Condition, units)
pul.SetPar('lC5', "10", "")
def CPdec(amp, units, In, Out):
"""
amp : dict key for CP decoupling amp
units : Watts (W) or decibel (dB)
In : Title, Subtitle, and Label for Input Dialog
Out : Title and Label for Selection/Confirmation Window
"""
P90 = pul.GetPar('pH90', "")
Amp90 = pul.GetPar('aH', "dB")
AmpD0 = pul.GetPar(amp, "dB")
MaxB1D = 1000000. / 4. / P90
B1_0 = MaxB1D * (math.pow(10, (Amp90 - AmpD0) / 20.))
if B1_0 > 100.: Dcond = '% .1f' % B1_0
if B1_0 > MaxB1D: Dcond = '85000.0'
if B1_0 <= 100.: Dcond = '85000.0'
Val = [str('%3.3f' % (float(Dcond) / 1000.))]
index=TopCmds.INPUT_DIALOG(In[0],In[1],In[2],\
Val,["kHz"],["1"],\
["Accept","Close"], [spc,ret], 10)
if index == None:
TopCmds.EXIT()
#Safety
Damp = DecSafely(1000. * float(index[0]), amp, MaxB1D, 150000., Amp90,
units)
if units == "W":
Damp = dBtoW(Damp)
value = TopCmds.SELECT(Out[0],"This will set\n "+\
Out[1]+" power to: " + str('%3.2f' %Damp)+" "+ units,\
["Update", "Keep Previous"],[spc,ret])
if value != 1:
pul.SetPar(amp, Damp, units)
return
def ReadHPFromData(units):
p90H = pul.GetPar('pH90', "")
p90C = pul.GetPar('pC90', "")
p90N = pul.GetPar('pN90', "")
ampH = pul.GetPar('aH', units)
ampC = pul.GetPar('aC', units)
ampN = pul.GetPar('aN', units)
MAS = pul.GetPar('MAS', "")
return p90H, p90C, p90N, ampH, ampC, ampN, MAS
def NCO(Unit):
CNCT = pul.GetPar('pNCO', "")
plH = pul.GetPar('aHnco', Unit)
plC = pul.GetPar('aCnco', Unit)
plN = pul.GetPar('aNnco', Unit)
SPC = pul.GetPar('sCnco', "")
SPN = pul.GetPar('sNnco', "")
return CNCT, plH, plC, plN, SP
def SPC5(MASR, MAS, units):
oldC5 = pul.GetPar('aCc5', units)
LoopC5 = pul.GetPar('lC5', "")
index = TopCmds.INPUT_DIALOG("SPC5 MAS", "SPC5 changes for MAS change", \
["Old MAS rate","New MAS rate","Old 13C power ("+pul.pulDict['aCc5']+")",\
"Mixing Loop ("+pul.pulDict['lC5']+")"],\
[str(MASR),str(MAS),str(oldC5),str(LoopC5)],\
["kHz","kHz",units,""],\
["1","1","1","1"],\
["Accept","Close"], [spc,ret], 10)
if index == None: TopCmds.EXIT()
OldMAS = float(index[0])
NewMAS = float(index[1])
oldC = float(index[2])
newL = float(index[3])
if units == "W":
oldC = Setup.WtodB(oldC)
adjust = 20 * (math.log10(NewMAS / OldMAS))
newC = oldC - adjust
if units == "W":
newC = Setup.dBtoW(newC)
value = TopCmds.SELECT("Adjusting the SPC5 parameters:",\
"This will set\n 13C power "+pul.pulDict['aCc5']+" to: " +\
str('%3.2f' %newC)+ " "+units+"\n"+\
"Loop "+pul.pulDict['lC5']+" to: "+ str(newL)\
,["Update", "Keep Previous"])
if value != 1:
pul.SetPar('aCc5', newC, units)
pul.SetPar('lC5', newL, "")
def HDec(Unit):
CPD = "None"
CPD = pul.GetPar('prgHDec', "")
if CPD == "" or CPD == "None":
PWname = "PCPD 2"
PLname = "PL" + Unit + " 12"
PW = "5.0"
if Unit == "dB": PL = "1000."
if Unit == "W": PL = "0.0"
else:
PLname, PWname = CPDtools.CPDparse(CPD, "1H")
PLname = Format(PLname, Unit)
PWname = Format(PWname, "")
if PWname == "PCPD":
PWname = "PCPD 2"
PW = pul.GetPar('pcpdH', "")
PL = pul.GetPar('aHdec', Unit)
return CPD, PWname, PW, PLname, PL
def COexc(units):
MAS =pul.GetPar('MAS',"")
Title="CO 90 excite/purge"
Sutit=pul.pulDict['sCOe']+" soft 90"
Label=["Duration","Offset","Pulse Name (3pi/2 Sinc)"]
Dims =["us","ppm",""]
Input=Title, Sutit,Label,Dims
Confirm="Adjusting the "+pul.pulDict['sCOe']+" purge pulse:"
Names ='pCOe','aCOe','sCOe','oCOe'
limits =220.,140.1 #(in ppm)
default= 1.5*1000000./MAS,"ESnob",175.
CalSP("13C",units,Names,default,limits,Input,Confirm,90.)
def COref(units):
MAS =pul.GetPar('MAS',"")
Title="CO 180 refocussing"
Sutit=pul.pulDict['sCOr']+" soft 180"
Label=["Duration","Offset","Pulse Name (rSnob)"]
Dims =["us","ppm",""]
Input=Title, Sutit,Label,Dims
Confirm="Adjusting the "+pul.pulDict['sCOe']+" purge pulse:"
Names ='pCOr','aCOr','sCOr','oCOr'
limits =220.,140.1 #(in ppm)
default= 1.5*1000000./MAS,"RSnob",175.
CalSP("13C",units,Names,default,limits,Input,Confirm,180.)
def CAref(units):
MAS =pul.GetPar('MAS',"")
Title="CA 180 refocussing"
Sutit=pul.pulDict['sCAr']+" soft 180"
Label=["Duration","Offset","Pulse Name (rSnob)"]
Dims =["us","ppm",""]
Input=Title, Sutit,Label,Dims
Confirm="Adjusting the "+pul.pulDict['sCAr']+" purge pulse:"
Names ='pCAr','aCAr','sCAr','oCAr'
limits =140.,-10. #(in ppm)
default= 1.5*1000000./MAS,"RSnob",55.
#TopCmds.MSG("Calling Softpulse calculation")
CalSP("13C",units,Names,default,limits,Input,Confirm,180.)
def Find_old_pw(char, Nuc):
if char == 'pcpd':
if Nuc == "1H": pw = pul.GetPar('pcpdH', "")
if Nuc == "2H": pw = pul.GetPar('pcpdD', "")
if Nuc == "13C": pw = pul.GetPar('pcpdC', "")
if Nuc == "15N": pw = pul.GetPar('pcpdN', "")
elif char == 'p31':
pw = pul.GetPar("P 31", "")
elif char == 'p62':
pw = pul.GetPar("P 62", "")
else:
pw = 0.03
return pw
def Find_old_pl(char, unit):
if char == 'pl12':
pl = float(pul.GetPar('aHdec', unit))
elif char == 'pl13':
pl = float(pul.GetPar('aHdec2', unit))
elif char == 'pl14':
pl = float(pul.GetPar('aHdec3', unit))
elif char == 'pl3':
pl = float(pul.GetPar('aNdec', unit))
elif char == 'pl4':
pl = float(pul.GetPar('aCdec', unit))
elif char == 'pl25':
pl = float(pul.GetPar('aDdec', unit))
else:
pl = 1000.
return pl
def MakeRamp(Scale, Delta, Beta, Nuc):
MAS =pul.GetPar('MAS',"")
TauR=float(1000000/MAS)
if Nuc=="1H" :
MaxB1=1000./4./(pul.GetPar('pH90',""))
Amp=pul.GetPar('aH','dB')
Time=pul.GetPar('pHdrm',"")
TimeKey='pHdrm'
key='sHdrm'
if Nuc=="13C":
MaxB1=1000./4./(pul.GetPar('pC90',""))
Amp=pul.GetPar('aC','dB')
Time=pul.GetPar('pCdrm',"")
TimeKey='pCdrm'
key='sCdrm'
PctScal=Scale/MaxB1
PctRamp=2.*Delta/MaxB1
PctAdia=Beta/MaxB1
Index = TopCmds.INPUT_DIALOG("DREAM RAMP", "", \
["Total Contact","Read-In/Out","Ampl","Ramp","Adiabicity"],\
[str(Time/1000.),str( '%3.2f' % (2*TauR)),str('%3.1f'%(Scale/1000.)),\
str('%3.1f'%(Delta/1000.)),str('%3.1f' % Beta)],\
["ms" ,"us" ,"kHz" ,"+/- kHz","Hz"],\
["1" ,"1" ,"1" ,"1" ,"1"],\
["Accept","Close"], [spc,ret], 10)
if Index == None:TopCmds.EXIT()
PctAmpl=100.*float(Index[2])/MaxB1
PctDel=PctAmpl*float(Index[3])
PctBet=float(Index[2])*float(Index[4])/MaxB1/10.
Name=name_confirm(Index[0],Index[1],str(PctAmpl),str(PctDel),str(PctBet),key)
make(Index[0],Index[1],str(PctAmpl),str(PctRamp),PctBet,Name,key)
pul.SetPar(TimeKey,1000.*float(Index[0]),"")
return Name, Index[0]
def CX(Unit):
PL = pul.GetPar('aHdarr', Unit)
PW = pul.GetPar('dDarr', "")
return PW, PL
def DPul(Unit):
PL = pul.GetPar('aD', Unit)
PW = pul.GetPar('pD90', "")
return PW, PL
def NPul(Unit):
PL = pul.GetPar('aN', Unit)
PW = pul.GetPar('pN90', "")
return PW, PL
def CPul(Unit):
PL = pul.GetPar('aC', Unit)
PW = pul.GetPar('pC90', "")
return PW, PL
def HPul(Unit):
PL = pul.GetPar('aH', Unit)
PW = pul.GetPar('pH90', "")
return PW, PL
def MAS(Unit):
MAS = pul.GetPar('MAS', "")
return MAS
def CalSP(nuc,units,para,dflt,limits,dia,conf,tip):
"""
nuc : Nucleus, 13C or 1H
units : Watts (W) or Decibels (dB)
para : Dict keys for soft pulse wave (time,amp,shape,offs)
dflt : Defaults (time,shape,offs(in ppm))
limits : ppm frequency limits (upper, lower)
"""
if nuc=="13C":p90=pul.GetPar('pC90',""); amp=pul.GetPar('aC',units)
if nuc=="1H": p90=pul.GetPar('pH90',""); amp=pul.GetPar('aH',units)
MAS =pul.GetPar('MAS',"")
if units == "W":
amp=Setup.WtodB(amp)
MaxB1 = 1000000./4./p90
pSft = pul.GetPar(para[0],"")
if pSft == 0: pSft = dflt[0]
SP=pul.GetPar(para[2],"")
offs0 = pul.GetPar(para[3],"")
#Check for existence and default
if SP == "gauss" or SP == "None" or SP == "0" or SP == "" :
pul.SetPar(para[2],dflt[1],"")
TopCmds.XCMD(pul.xcmd_name(pul.pulDict[para[2]]))
SP=pul.GetPar(para[2],"")
if pul.pulDict['uoffs']=='ppm':
ppm=offs0
offs=Cfrq.ppm2offs(offs0)
else:
#offs0 is in Hz
ppm=Cfrq.offs2ppm(offs0)
offs=offs0
if ppm > limits[0] : ppm=dflt[2]
if ppm < limits[1] : ppm=dflt[2]
index = TopCmds.INPUT_DIALOG(dia[0],dia[1],dia[2],\
[str('%3.2f' %pSft),str('%3.2f' %ppm),SP],\
dia[3],["1","1","1"],\
["Accept","Close"], [spc,ret], 10)
if index == None:TopCmds.EXIT()
pSft=float(index[0])
ppm=float(index[1])
SP=index[2]
offs=Cfrq.ppm2offs(ppm)
AvgAmp=IntShape.Integrate(SP)/100.
adjust=20*math.log10((tip/90.)*p90/pSft/AvgAmp)
Power =amp-adjust
if units == "W":
Power=Setup.dBtoW(Power)
confirm = TopCmds.SELECT(conf,\
"This will set\n "+\
nuc+" amp "+pul.pulDict[para[1]]+" to : " + str('%3.2f' %Power)+ " "+units+"\n \
Pulse offset to : " + str('%8.0f' %offs) + " Hz\n \
Equivalent to : " + str('%3.1f' %ppm ) + " ppm\n "+\
pul.pulDict[para[0]]+" to :" + str('%6.1f' %pSft)+ " us\n "\
,["Update", "Keep Previous"])
if confirm != 1:
pul.SetPar(para[0],pSft,"")
pul.SetPar(para[1],Power,units)
pul.SetPar(para[2],SP,"")
if pul.pulDict['uoffs']=='ppm':
pul.SetPar(para[3],ppm,"")
elif pul.pulDict['uoffs']=='Hz':
pul.SetPar(para[3],offs,"")
else :
pul.SetPar(para[3],ppm,"")
def Phases():
PH0 = pul.GetPar("PHC0", "")
PH1 = pul.GetPar("PHC1", "")
#TopCmds.MSG("PH0: "+str(PH0)+"\n PH1: " +str(PH1))
return PH0, PH1
