def HDec(units):
Stuff = []
p90H = float(TopCmds.GETPAR("P 3"))
ampH = float(TopCmds.GETPAR("PLdB 2"))
MaxB1H = 1000000. / 4. / p90H
CPD = TopCmds.GETPAR2("CPDPRG 2")
if CPD == "mlev" or CPD == "None":
TopCmds.XCMD("cpdprg2")
CPD = (TopCmds.GETPAR2("CPDPRG 2"))
Stuff = CPDtools.CPDparse(CPD, "1H")
#TopCmds.MSG(str(Stuff))
amp0 = CPDtools.Find_old_pl(Stuff[0])
decpw0 = CPDtools.Find_old_pw(Stuff[1], "1H")
B1_0 = MaxB1H * (math.pow(10, (ampH - amp0) / 20.)) / 1000.
if B1_0 > 1.: B1out = '% .1f' % B1_0
if B1_0 <= 1.: B1out = '75.0'
index = TopCmds.INPUT_DIALOG("Mr Setup Input", "Decoupling Window", \
["Desired 1H Decoupling Amplitude","File"],\
[B1out,CPD],["kHz",""],["1","1",],\
["Accept","Close"], ['a','c'], 10)
TopCmds.PUTPAR("CPDPRG 2", index[1])
#print(index[0], MaxB1H)
adjust = 20 * (math.log10(1000. * float(index[0]) / MaxB1H))
Hamp = ampH - adjust
decpwH = (MaxB1H / 1000. / float(index[0])) * (170. / 180.) * 2 * p90H
if units == "W":
Hamp = dBtoW(Hamp)
value = TopCmds.SELECT("Adjusting the H decoupling parameters:",\
"This will set\n 1H power ("+ Stuff[0] +") to: "+ str('%.2f' %Hamp)+" "+ units+"\n \
Pulse width (" + Stuff[1] +") to: " +str('%3.2f' %decpwH) + units,["Update", "Keep Previous"])
if value != 1:
if Stuff[0] == 'pl12':
TopCmds.PUTPAR("PL" + units + " 12", str('%3.2f' % Hamp))
elif Stuff[0] == 'pl13':
TopCmds.PUTPAR("PL" + units + " 13", str('%3.2f' % Hamp))
elif Stuff[0] == 'pl14':
TopCmds.PUTPAR("PL" + units + " 14", str('%3.2f' % Hamp))
if Stuff[1] == 'pcpd':
TopCmds.PUTPAR("PCPD 2", str('%3.2f' % decpwH))
elif Stuff[1] == 'p31':
TopCmds.PUTPAR("P 31", str('%3.2f' % decpwH))
TopCmds.PUTPAR("P 30", str('%3.2f' % decpwH))
elif Stuff[1] == 'p62':
TopCmds.PUTPAR("P 61", str('%3.2f' % decpwH))
TopCmds.PUTPAR("P 62", str('%3.2f' % decpwH))
def HC(Unit):
CNCT = TopCmds.GETPAR("P 15")
#plC=TopCmds.GETPAR("PL"+Unit+" 40")
#plH=TopCmds.GETPAR("PL"+Unit+" 41")
plC = TopCmds.GETPAR("SP" + Unit + " 40")
plH = TopCmds.GETPAR("SP" + Unit + " 41")
SPC = TopCmds.GETPAR2("SPNAM 40")
SPH = TopCmds.GETPAR2("SPNAM 41")
#TopCmds.MSG("CNCT: "+CNCT+"\n plH: "+plH+"\n plC: "+plC+"\n SPH: "+SPH+"\n SPC: "+SPC)
return CNCT, plH, plC, SPH, SPC
def S6purge():
p90C=float(TopCmds.GETPAR("P 1"))
ampC=float(TopCmds.GETPAR("PLdB 1"))
MAS =float(TopCmds.GETPAR("CNST 31"))
MaxB1 = 1000000./4./p90C
p90sC=float(TopCmds.GETPAR("P 6"))
SPname=(TopCmds.GETPAR2("SPNAM 6"))
if p90sC == 0: p90sC = 1500000./MAS
SP=SPname
#Check for existence and default
if SP == "gauss" or SP == "None" :
#TopCmds.MSG("Please set spnam6")
TopCmds.XCMD("spnam6")
SP=(TopCmds.GETPAR2("SPNAM 6"))
offs = float(TopCmds.GETPAR("SPOFFS 6"))
ppm=CFrq.offs2ppm(offs)
if ppm > 140.0 : ppm=55.0
if ppm < -10.0 : ppm=55.0
index = TopCmds.INPUT_DIALOG("CA 90 purge", "S6 soft 90", \
["Duration","Offset","Pulse Name (3pi/2 Sinc)"],\
[str('%3.2f' %p90sC),str('%3.2f' %ppm),SP],\
["us","ppm",""],\
["1","1","1"],\
["Accept","Close"], ['a','c'], 10)
p90sC=float(index[0])
ppm=float(index[1])
SP=index[2]
offs=CFrq.ppm2offs(ppm)
AvgAmp=IntShape.Integrate(SP)/100.
adjust=20*math.log10(p90C/p90sC/AvgAmp)
Power=ampC-adjust
PowerW=pwr.dBtoW(Power)
confirm = TopCmds.SELECT("Adjusting the S6 purge pulse:",\
"This will set\n \
13C amp (pl26) to :" + str('%3.2f' %PowerW)+ " W\n \
Pulse offset to :" + str('%8.0f' %offs) + " Hz\n \
Equivalent to :" + str('%3.1f' %ppm ) + " ppm\n \
p6 to :" + str('%6.1f' %p90sC)+ " us\n "\
,["Update", "Keep Previous"])
if confirm != 1:
TopCmds.PUTPAR("PLdB 26",str('%3.2f' %Power))
TopCmds.PUTPAR("SPNAM 6",SP)
TopCmds.PUTPAR("SPOFFS 6",str('%8.2f' %offs))
TopCmds.PUTPAR("P 6",str('%3.2f' %p90sC))
def HN(Unit):
CNCT = TopCmds.GETPAR("P 25")
#plN=TopCmds.GETPAR("PL"+Unit+" 42")
#plH=TopCmds.GETPAR("PL"+Unit+" 43")
plH = TopCmds.GETPAR("SP" + Unit + " 42")
plN = TopCmds.GETPAR("SP" + Unit + " 43")
#TopCmds.MSG(TopCmds.GETPAR2("SPNAM 42"))
SPN = TopCmds.GETPAR2("SPNAM 42")
#TopCmds.MSG(TopCmds.GETPAR2("SPNAM 43"))
SPH = TopCmds.GETPAR2("SPNAM 43")
#TopCmds.MSG("CNCT: "+CNCT+"\n plH: "+plH+"\n plN: "+plN+"\n SPH: "+SPH+"\n SPN: "+SPN)
return CNCT, plH, plN, SPH, SPN
def HDec(Unit):
CPD = "None"
CPD = TopCmds.GETPAR2("CPDPRG 2")
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 = TopCmds.GETPAR(PWname)
PL = TopCmds.GETPAR(PLname)
#TopCmds.MSG(PWname+" "+PLname+" "+str(PW)+" "+str(PL))
return CPD, PWname, PW, PLname, PL
def NCO(Unit):
CNCT = TopCmds.GETPAR("P 17")
plH = TopCmds.GETPAR("PL" + Unit + " 34")
plN = TopCmds.GETPAR("PL" + Unit + " 6")
plC = TopCmds.GETPAR("SP" + Unit + " 51")
SP = TopCmds.GETPAR2("SPNAM 51")
return CNCT, plH, plC, plN, SP
def NCA(Unit):
CNCT = TopCmds.GETPAR("P 16")
plH = TopCmds.GETPAR("PL" + Unit + " 33")
plC = TopCmds.GETPAR("SP" + Unit + " 50")
plN = TopCmds.GETPAR("PL" + Unit + " 5")
SP = TopCmds.GETPAR2("SPNAM 50")
#TopCmds.MSG("CNCT: "+CNCT+"\n plH: "+plH+"\n plN: "+plN+"\n plC: "+plC+"\n SP: "+SP)
return CNCT, plH, plC, plN, SP
def CH(Unit):
CNCT = TopCmds.GETPAR("P 48")
plH = TopCmds.GETPAR("SP" + Unit + " 48")
plC = TopCmds.GETPAR("PL" + Unit + " 49")
SP = "None"
SP = TopCmds.GETPAR2("SPNAM 48")
if SP == "" or SP == "None":
SP = "None"
return CNCT, plH, plC, SP
def hhC(Unit):
CNCT = TopCmds.GETPAR("P 44")
plH = TopCmds.GETPAR("PL" + Unit + " 44")
plC = TopCmds.GETPAR("PL" + Unit + " 45")
SP = "None"
SP = TopCmds.GETPAR2("SPNAM 44")
if SP == "" or SP == "None":
SP = "None"
return CNCT, plH, plC, SP
def NH(Unit):
CNCT = TopCmds.GETPAR("P 46")
plH = TopCmds.GETPAR("SP" + Unit + " 46")
plN = TopCmds.GETPAR("PL" + Unit + " 47")
SP = "None"
SP = TopCmds.GETPAR2("SPNAM 46")
if SP == "" or SP == "None":
SP = "None"
return CNCT, plH, plN, SP
def GetPar(parName, unit):
Thing = ""
Thing = 1.
if parName in pulDict:
TopSpinName = pulDict[parName]
else:
TopSpinName = parName
j = TopSpinName.find(" ")
if TopSpinName.find("NAM") >= 0 or TopSpinName.find("PRG") >= 0:
Thing = TopCmds.GETPAR2(TopSpinName)
elif (TopSpinName.find("SP") >=0 and TopSpinName.find("NAM") <= 0) \
or TopSpinName.find("PL") >= 0 :
#TopCmds.MSG("TopSpinName= "+TopSpinName+"\nUnit= "+unit)
Thing = float(TopCmds.GETPAR(TopSpinName[:j] + unit + TopSpinName[j:]))
elif TopSpinName.find("Unused") >= 0:
Thing = "Unused"
else:
Thing = float(TopCmds.GETPAR(TopSpinName))
return Thing
def NCO(units):
p90C = float(TopCmds.GETPAR("P 1"))
ampC = float(TopCmds.GETPAR("PLdB 1"))
p90N = float(TopCmds.GETPAR("P 21"))
ampN = float(TopCmds.GETPAR("PLdB 3"))
MAS = float(TopCmds.GETPAR("CNST 31"))
SP = TopCmds.GETPAR2("SPNAM 51")
CNCT = float(TopCmds.GETPAR("P 17"))
if CNCT <= 1.: CNCT = 3500.
if SP == "gauss" or SP == "None" or SP == "":
#TopCmds.MSG("Please set spnam2")
TopCmds.XCMD("spnam51")
SP = (TopCmds.GETPAR2("SPNAM 51"))
SP.join()
MaxB1N = 1000000. / 4. / p90N
MaxB1C = 1000000. / 4. / p90C
#find the channel with the lowest B1
NCond = (5. / 2.) * MAS
CCond = (7. / 2.) * MAS
while NCond > MaxB1N:
NCond = NCond - MAS
CCond = NCond + MAS
while CCond > MaxB1C:
NCond = NCond - MAS
CCond = NCond + MAS
if NCond < MAS:
NCond = 0.25 * MAS
CCond = 0.75 * MAS
index = TopCmds.INPUT_DIALOG("NCO CP Input", "N-CO SPECIFIC 7/2*C; 5/2*N", \
["Carbon B1 field","Nitrogen B1 field","Contact Time(P15)","Ramp Name"],\
[str(CCond),str(NCond),str(CNCT),SP],\
["kHz","kHz","us",""],\
["1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
adjust = 20 * (math.log10(float(index[0]) / MaxB1C))
Camp = ampC - adjust
adjust = 20 * (math.log10(float(index[1]) / MaxB1N))
Namp = ampN - adjust
#Insert ramp calibration here
AvgAmp = IntShape.Integrate(SP) / 100.
adjust = 20 * (math.log10(1. / AvgAmp))
Camp = Camp - adjust
CNCT = float(index[2])
if units == "W":
Namp = dBtoW(Namp)
Camp = dBtoW(Camp)
value = TopCmds.SELECT("Adjusting the NC CP parameters:",\
"This will set\n 13C power to: " + str('%3.2f' %Camp)+" "+ units+"\n \
15N power to: " +str('%3.2f' %Namp) + units,["Update", "Keep Previous"])
if value != 1:
TopCmds.PUTPAR("PL" + units + " 6", str('%3.2f' % Namp))
TopCmds.PUTPAR("PL" + units + " 51", str('%3.2f' % Camp))
TopCmds.PUTPAR("SP" + units + " 51", str('%3.2f' % Camp))
TopCmds.PUTPAR("P 17", str('%3.2f' % CNCT))
TopCmds.PUTPAR("SPNAM 51", SP)
def HN(units):
p90H = float(TopCmds.GETPAR("P 3"))
ampH = float(TopCmds.GETPAR("PLdB 2"))
p90N = float(TopCmds.GETPAR("P 21"))
ampN = float(TopCmds.GETPAR("PLdB 3"))
MAS = float(TopCmds.GETPAR("CNST 31"))
CNCT = float(TopCmds.GETPAR("P 25"))
SPH = TopCmds.GETPAR2("SPNAM 42")
SPX = TopCmds.GETPAR2("SPNAM 43")
if CNCT <= 1.: CNCT = 1000.
if SPH == "gauss" or SPH == "None" or SPH == "":
#TopCmds.MSG("Please set spnam1")
TopCmds.PUTPAR("SPNAM 42", "ramp.100")
TopCmds.XCMD("spnam42")
SPH = (TopCmds.GETPAR2("SPNAM 42"))
SPH.join()
if SPX == "gauss" or SPX == "None" or SPX == "":
#TopCmds.MSG("Please set spnam11")
TopCmds.PUTPAR("SPNAM 43", "square.100")
TopCmds.XCMD("spnam43")
SPX = (TopCmds.GETPAR2("SPNAM 43"))
SPX.join()
MaxB1H = 1000000. / 4. / p90H
MaxB1N = 1000000. / 4. / p90N
#find the channel with the lowest B1
if MaxB1N < MaxB1H:
Ratio = int(math.floor(MaxB1N / MAS))
NCond = (Ratio - 0.5) * MAS
HCond = (Ratio + 0.5) * MAS
if HCond > MaxB1H:
Ratio = Ratio - 1
NCond = (Ratio - 0.5) * MAS
HCond = (Ratio + 0.5) * MAS
# If spinning very fast or using weak B1s
if Ratio <= 1:
NCond = .25 * MAS
HCond = .75 * MAS
if MaxB1N >= MaxB1H:
Ratio = int(math.floor(MaxB1H / MAS))
HCond = (Ratio - 0.5) * MAS
NCond = (Ratio + 0.5) * MAS
if NCond > MaxB1N:
Ratio = Ratio - 1
HCond = (Ratio - 0.5) * MAS
NCond = (Ratio + 0.5) * MAS
# If spinning very fast or using weak B1s
if Ratio <= 1:
NCond = .25 * MAS
HCond = .75 * MAS
adjust = 20 * (math.log10(NCond / MaxB1N))
Namp = ampN - adjust
adjust = 20 * (math.log10(HCond / MaxB1H))
Hamp = ampH - adjust
index = TopCmds.INPUT_DIALOG("HN CP Input", "Proton Nitrogen Cross Polarization", \
["Proton B1 Field","H Ramp","Nitrogen B1 Field","N Ramp","Contact Time(P25)"],\
[str(HCond),SPH,str(NCond),SPX,str(CNCT)],\
["kHz","","kHz","","us"],\
["1","1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
adjust = 20 * (math.log10(float(index[0]) / MaxB1H))
Hamp1 = ampH - adjust
AvgAmp = IntShape.Integrate(index[1]) / 100.
adjust = 20 * (math.log10(1. / AvgAmp))
Hamp = Hamp1 - adjust
adjust = 20 * (math.log10(float(index[2]) / MaxB1N))
Namp = ampN - adjust
#Ramp integration adjustment
AvgAmp = IntShape.Integrate(index[3]) / 100.
adjust = 20 * (math.log10(1. / AvgAmp))
Namp = Namp - adjust
CNCT = float(index[4])
#TopCmds.MSG("Adjusting the HC CP parameters:\n Your Proton Amplitude is set to " + str('%3.2f' %Hamp)+ "dB\n Your Nitrogen Ammplitude is set to " +str('%3.2f' %Namp))
if units == "W":
Hamp = dBtoW(Hamp)
Namp = dBtoW(Namp)
value = TopCmds.SELECT("Adjusting the HN CP parameters:",\
"This will set\n 1H power to: " + str('%3.2f' %Hamp)+" "+ units+"\n \
15N power to: " +str('%3.2f' %Namp) + units,["Update", "Keep Previous"])
if value != 1:
TopCmds.PUTPAR("SP" + units + " 42", str('%3.2f' % Hamp))
TopCmds.PUTPAR("SP" + units + " 43", str('%3.2f' % Namp))
TopCmds.PUTPAR("PL" + units + " 42", str('%3.2f' % Hamp))
TopCmds.PUTPAR("PL" + units + " 43", str('%3.2f' % Namp))
TopCmds.PUTPAR("P 25", str('%.2f' % CNCT))
TopCmds.PUTPAR("SPNAM 42", index[1])
TopCmds.PUTPAR("SPNAM 43", index[3])
def HC(units):
p90H = float(TopCmds.GETPAR("P 3"))
ampH = float(TopCmds.GETPAR("PLdB 2"))
p90C = float(TopCmds.GETPAR("P 1"))
ampC = float(TopCmds.GETPAR("PLdB 1"))
MAS = float(TopCmds.GETPAR("CNST 31"))
CNCT = float(TopCmds.GETPAR("P 15"))
SPH = TopCmds.GETPAR2("SPNAM 40")
SPX = TopCmds.GETPAR2("SPNAM 41")
if CNCT <= 1.: CNCT = 1000.
if SPH == "gauss" or SPH == "None" or SPH == "":
#TopCmds.MSG("Please set spnam40")
TopCmds.PUTPAR("SPNAM 40", "ramp.100")
TopCmds.XCMD("spnam40")
SPH = (TopCmds.GETPAR2("SPNAM 40"))
SPH.join()
if SPX == "gauss" or SPX == "None" or SPX == "":
#TopCmds.MSG("Please set spnam10")
TopCmds.PUTPAR("SPNAM 41", "square.100")
TopCmds.XCMD("spnam41")
SPX = (TopCmds.GETPAR2("SPNAM 41"))
SPX.join()
MaxB1H = 1000000. / 4. / p90H
MaxB1C = 1000000. / 4. / p90C
#find the channel with the lowest B1
if MaxB1C < MaxB1H:
Ratio = int(math.floor(MaxB1C / MAS))
#TopCmds.MSG(str(Ratio))
CCond = (Ratio - 0.5) * MAS
HCond = (Ratio + 0.5) * MAS
if HCond > MaxB1H:
Ratio = Ratio - 1
CCond = (Ratio - 0.5) * MAS
HCond = (Ratio + 0.5) * MAS
# If spinning very fast or using weak B1s
if Ratio <= 1:
CCond = .25 * MAS
HCond = .75 * MAS
if MaxB1C >= MaxB1H:
Ratio = int(math.floor(MaxB1H / MAS))
HCond = (Ratio - 0.5) * MAS
CCond = (Ratio + 0.5) * MAS
if CCond > MaxB1C:
Ratio = Ratio - 1
HCond = (Ratio - 0.5) * MAS
CCond = (Ratio + 0.5) * MAS
# If spinning very fast or using weak B1s
if Ratio <= 1:
CCond = .75 * MAS
HCond = .25 * MAS
adjust = 20 * (math.log10(CCond / MaxB1C))
Camp = ampC - adjust
adjust = 20 * (math.log10(HCond / MaxB1H))
Hamp = ampH - adjust
index = TopCmds.INPUT_DIALOG("HC CP Input", "Proton Carbon Cross Polarization", \
["Proton B1 Field","H Ramp","Carbon B1 Field","C Ramp","Contact Time(P15)"],\
[str(HCond),SPH,str(CCond),SPX,str(CNCT)],\
["kHz","","kHz","","us"],\
["1","1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
adjust = 20 * (math.log10(float(index[0]) / MaxB1H))
Hamp1 = ampH - adjust
AvgAmp = IntShape.Integrate(index[1]) / 100.
adjust = 20 * (math.log10(1. / AvgAmp))
Hamp = Hamp1 - adjust
adjust = 20 * (math.log10(float(index[2]) / MaxB1C))
Camp1 = ampC - adjust
#Ramp integration adjustment
AvgAmp = IntShape.Integrate(index[3]) / 100.
adjust = 20 * (math.log10(1. / AvgAmp))
Camp = Camp1 - adjust
CNCT = float(index[4])
if units == "W":
Hamp = dBtoW(Hamp)
Camp = dBtoW(Camp)
value = TopCmds.SELECT("Adjusting the HC CP parameters:",\
"This will set\n 1H power to: " + str('%3.2f' %Hamp)+" "+ units+"\n \
13C power to: " +str('%3.2f' %Camp) + units,["Update", "Keep Previous"])
if value != 1:
TopCmds.PUTPAR("SP" + units + " 40", str('%3.2f' % Hamp))
TopCmds.PUTPAR("SP" + units + " 41", str('%3.2f' % Camp))
TopCmds.PUTPAR("PL" + units + " 40", str('%3.2f' % Hamp))
TopCmds.PUTPAR("PL" + units + " 41", str('%3.2f' % Camp))
TopCmds.PUTPAR("P 15", str('%3.2f' % CNCT))
TopCmds.PUTPAR("SPNAM 40", index[1])
TopCmds.PUTPAR("SPNAM 41", index[3])
aCnca ="PL 6"; aCnco ="PL 6"
aNnca ="PL 7"; aNnco ="PL 7"
aHmissi="PL 9"
aHhc ="PL 10"; aHhn ="PL 11"
aChc ="PL 20"; aNhn ="PL 19"
aHdec ="PL 12"; aHdec2="PL 13"; aHdec3="PL 14"
aCc5 ="PL 15"
aCc7 ="PL 17"
aCc7 ="PL 17"
aNhn ="PL 19"; aChc ="PL 20"
aCAe ="PL 26"; aCOe ="PL 27"
aCAr ="PL 28"; aCOr ="PL 29"
#Decoupling
prgHDec=TopCmds.GETPAR2("CPDPRG 2")
if prgHDec != "None" and prgHDec != "" :
aHdec, pHdec = CPDtools.CPDparse(prgHDec,"1H")
prgNDec=TopCmds.GETPAR2("CPDPRG 3")
if prgNDec != "None" and prgNDec != "" :
aNdec, pNdec = CPDtools.CPDparse(prgHDec,"15N")
#Loops
lRFDR ="L 3"
lREDOR="L 4"
lC5 ="L 5"
lC7 ="L 7"
lTOBSY="L 9"
#Delays
def NCO(MAS0,MAS,units):
p90X=float(TopCmds.GETPAR("P 1"))
ampX=float(TopCmds.GETPAR("PL"+units+" 1"))
ampXdB=float(TopCmds.GETPAR("PLdB 1"))
ampXCP0=float(TopCmds.GETPAR("SP"+units+" 51"))
ampXCP0dB=float(TopCmds.GETPAR("SPdB 51"))
#ampXCP0=float(TopCmds.GETPAR("PL"+units+" 50"))
#ampXCP0dB=float(TopCmds.GETPAR("PLdB 50"))
SPX=TopCmds.GETPAR2("SPNAM 51")
p90Y=float(TopCmds.GETPAR("P 21"))
ampY=float(TopCmds.GETPAR("PL"+units+" 3"))
ampYdB=float(TopCmds.GETPAR("PLdB 3"))
ampYCP0=float(TopCmds.GETPAR("PL"+units+" 6"))
ampYCP0dB=float(TopCmds.GETPAR("PLdB 6"))
SPY="None"
avgY0=1.
# Get the integration before possibly changing the shape.
if SPX != "None" and SPX != None:
avgX0=IntShape.Integrate(SPX)/100.
if SPX == "None" or SPX == None:
avgX0=1.
CNCT=float(TopCmds.GETPAR("P 17"))
#Interact with user about MAS and power levels, likely not needed
params = TopCmds.INPUT_DIALOG("NCO CP MAS adjustment", "Nitrogen Carbonyl Cross Polarization", \
["Old MAS rate","New MAS rate","Old 13C power","Old 15N power","Contact Time(P16)","C-Ramp"],\
[str(MAS0),str(MAS),str(ampXCP0),str(ampYCP0),str(CNCT),SPX],\
["kHz","kHz",units,units,"us",""],\
["1","1","1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
if params == None: TopCmds.EXIT()
params.append(SPY)
# Everything is written with dB, so we might have to convert
if units == "W":
params[2]=str(Setup.WtodB(float(params[2])))
params[3]=str(Setup.WtodB(float(params[3])))
if SPX != "None" and SPX != None:
avgX0=IntShape.Integrate(SPX)/100.
if SPX == "None" or SPX == None:
avgX0=1.
pulses=p90X,ampXdB,p90Y,ampYdB,avgX0,avgY0
SelectorText="Adjust the NCA CP parameters:","Calculate New Power Level for:",\
["Carbon","Nitrogen","Both"]
ampXCPdB, ampYCPdB = FindMatch(params,pulses,SelectorText)
if units == "W":
ampXCP=Setup.dBtoW(ampXCPdB)
ampYCP=Setup.dBtoW(ampYCPdB)
value = TopCmds.SELECT("Adjusting the NCO CP parameters:",\
"This will set\n 13C power to: " + str('%3.2f' %ampXCP)+ " "+units+"\n \
15N power to: " +str('%3.2f' %ampYCP) + " "+units,["Update", "Keep Previous"])
if value != 1:
TopCmds.PUTPAR("PLdB 51",str('%3.2f' %ampXCPdB))
TopCmds.PUTPAR("SPdB 51",str('%3.2f' %ampXCPdB))
TopCmds.PUTPAR("PLdB 6",str('%3.2f' %ampYCPdB))
TopCmds.PUTPAR("P 17" ,str('%3.2f' %CNCT))
TopCmds.PUTPAR("SPNAM 51",SPX)
def HN(MAS0,MAS,units):
p90H=float(TopCmds.GETPAR("P 3"))
ampH=float(TopCmds.GETPAR("PL"+units+" 2"))
ampHdB=float(TopCmds.GETPAR("PLdB 2"))
ampHCP0=float(TopCmds.GETPAR("SP"+units+" 42"))
ampHCP0dB=float(TopCmds.GETPAR("SPdB 42"))
#ampHCP0=float(TopCmds.GETPAR("PL"+units+" 42"))
#ampHCP0dB=float(TopCmds.GETPAR("PLdB 42"))
SPH=TopCmds.GETPAR2("SPNAM 42")
p90X=float(TopCmds.GETPAR("P 21"))
ampX=float(TopCmds.GETPAR("PL"+units+" 3"))
ampXdB=float(TopCmds.GETPAR("PLdB 3"))
ampXCP0=float(TopCmds.GETPAR("SP"+units+" 43"))
ampXCP0dB=float(TopCmds.GETPAR("SPdB 43"))
#ampXCP0=float(TopCmds.GETPAR("PL"+units+" 43"))
#ampXCP0dB=float(TopCmds.GETPAR("PLdB 43"))
SPX=TopCmds.GETPAR2("SPNAM 43")
CNCT=float(TopCmds.GETPAR("P 25"))
#Interact with user about MAS and power levels, likely not needed
params = TopCmds.INPUT_DIALOG("HN CP MAS adjustment", "Proton Nitrogen Cross Polarization", \
["Old MAS rate","New MAS rate","Old 15N power","Old 1H power","Contact Time(P15)","H-Ramp","N-Ramp"],\
[str(MAS0),str(MAS),str(ampXCP0),str(ampHCP0),str(CNCT),SPH,SPX],\
["kHz","kHz",units,units,"us","",""],\
["1","1","1","1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
if params == None: TopCmds.EXIT()
# Everything is written with dB, so we might have to convert
if units == "W":
params[2]=str(Setup.WtodB(float(params[2])))
params[3]=str(Setup.WtodB(float(params[3])))
if SPH != "None" and SPH != None:
avgH0=1.
avgH0=IntShape.Integrate(SPH)/100.
if SPX != "None" and SPX != None:
avgX0=1.
avgX0=IntShape.Integrate(SPX)/100.
pulses=p90H,ampHdB,p90X,ampXdB,avgH0,avgX0
SelectorText="Adjust the HN CP parameters:","Calculate New Match for:",\
["Proton","Nitrogen","Maximum for Both"]
ampHCPdB, ampXCPdB = FindMatch(params,pulses,SelectorText)
if units == "W":
ampXCP=Setup.dBtoW(ampXCPdB)
ampHCP=Setup.dBtoW(ampHCPdB)
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:
TopCmds.PUTPAR("PLdB 42",str('%3.2f' %ampHCPdB))
TopCmds.PUTPAR("SPdB 42",str('%3.2f' %ampHCPdB))
TopCmds.PUTPAR("PLdB 43",str('%3.2f' %ampXCPdB))
TopCmds.PUTPAR("SPdB 43",str('%3.2f' %ampXCPdB))
TopCmds.PUTPAR("P 25" ,str('%3.2f' %CNCT))
TopCmds.PUTPAR("SPNAM 42",SPH)
TopCmds.PUTPAR("SPNAM 43",SPX)
def HC(MAS0,MAS,units):
p90H=float(TopCmds.GETPAR("P 3"))
ampH=float(TopCmds.GETPAR("PL"+units+" 2"))
ampHdB=float(TopCmds.GETPAR("PLdB 2"))
ampHCP0=float(TopCmds.GETPAR("SP"+units+" 40"))
ampHCP0dB=float(TopCmds.GETPAR("SPdB 40"))
#ampHCP0=float(TopCmds.GETPAR("PL"+units+" 10"))
#ampHCP0dB=float(TopCmds.GETPAR("PLdB 10"))
SPH=TopCmds.GETPAR2("SPNAM 40")
p90X=float(TopCmds.GETPAR("P 1"))
ampX=float(TopCmds.GETPAR("PL"+units+" 1"))
ampXdB=float(TopCmds.GETPAR("PLdB 1"))
ampXCP0=float(TopCmds.GETPAR("SP"+units+" 41"))
ampXCP0dB=float(TopCmds.GETPAR("SPdB 41"))
#ampXCP0=float(TopCmds.GETPAR("PL"+units+" 20"))
#ampXCP0dB=float(TopCmds.GETPAR("PLdB 20"))
SPX=TopCmds.GETPAR2("SPNAM 41")
CNCT=float(TopCmds.GETPAR("P 15"))
params = TopCmds.INPUT_DIALOG("HC CP MAS adjustment", "Proton Carbon Cross Polarization", \
["Old MAS rate","New MAS rate","Old 13C power","Old 1H power","Contact Time(P15)","H-Ramp","C-Ramp"],\
[str(MAS0),str(MAS),str(ampXCP0),str(ampHCP0),str(CNCT),SPH,SPX],\
["Hz","Hz",units,units,"us","",""],\
["1","1","1","1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
if units == "W":
params[2]=str(Setup.WtodB(float(params[2])))
params[3]=str(Setup.WtodB(float(params[3])))
if SPH != "None" and SPH != None:
avgH0=IntShape.Integrate(SPH)/100.
if SPX != "None" and SPX != None:
avgX0=IntShape.Integrate(SPX)/100.
pulses=p90H,ampHdB,p90X,ampXdB,avgH0,avgX0
SelectorText="Adjust the HC CP parameters:","Calculate New Match for:",\
["Proton","Carbon","Maximum for Both"]
ampHCPdB, ampXCPdB = FindMatch(params,pulses,SelectorText)
if units == "W":
ampXCP=Setup.dBtoW(ampXCPdB)
ampHCP=Setup.dBtoW(ampHCPdB)
value = TopCmds.SELECT("Adjusting the HC CP parameters:",\
"This will set\n 1H power to: " + str('%3.2f' %ampHCP)+ " "+units+"\n \
13C power to: " +str('%3.2f' %ampXCP) + " "+units,["Update", "Keep Previous"])
if value != 1:
TopCmds.PUTPAR("PLdB 40",str('%3.2f' %ampHCPdB))
TopCmds.PUTPAR("SPdB 40",str('%3.2f' %ampHCPdB))
TopCmds.PUTPAR("PLdB 41",str('%3.2f' %ampXCPdB))
TopCmds.PUTPAR("SPdB 41",str('%3.2f' %ampXCPdB))
TopCmds.PUTPAR("P 15" ,params[4])
TopCmds.PUTPAR("SPNAM 40",params[5])
TopCmds.PUTPAR("SPNAM 41",params[6])
def CalNCO():
p90C=float(TopCmds.GETPAR("P 1"))
ampC=float(TopCmds.GETPAR("PLdB 1"))
p90N=float(TopCmds.GETPAR("P 21"))
ampN=float(TopCmds.GETPAR("PLdB 21"))
MAS =float(TopCmds.GETPAR("CNST 31"))
SP=TopCmds.GETPAR("SPNAM 3")
CNCT=float(TopCmds.GETPAR("P 16"))
if CNCT <= 1.: CNCT = 3500.
if SP == "gauss" or SP == "None" :
#TopCmds.MSG("Please set spnam3")
TopCmds.XCMD("spnam3")
SP=(TopCmds.GETPAR2("SPNAM 3"))
MaxB1N = 1000000./4./p90N
MaxB1C = 1000000./4./p90C
Coffs=Cfrq.ppm2offs(170.0)
NCond=(5./2.)*MAS
CCond=(7./2.)*MAS
while NCond > MaxB1N :
NCond=NCond - MAS
CCond=NCond + MAS
while CCond > MaxB1C :
NCond=NCond - MAS
CCond=NCond + MAS
if NCond < MAS :
NCond= 0.25*MAS
CCond= 0.75*MAS
index = TopCmds.INPUT_DIALOG("NCO off-resonance CP Input",\
"N-CO SPECIFIC-CP w1C=7/2*wr; w1N=5/2*wr", \
["Carbon B1 field","Carbon offset (170ppm)","Nitrogen B1 field","Contact Time(P16)","Ramp Name"],\
[str(CCond),str(Coffs),str(NCond),str(CNCT),SP],\
["Hz","Hz","Hz","us",""],\
["1","1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
NCond=(float(index[2]))*MAS
CCond=math.sqrt( (float(index[0]))**2 - (float(index[1]))**2))
adjust=20*(math.log10(CCond/MaxB1C))
Camp = ampC-adjust
adjust=20*(math.log10(NCond/MaxB1N))
Namp = ampN-adjust
#Insert ramp calibration here
AvgAmp=IntShape.Integrate(SP)/100.
adjust=20*(math.log10(1./AvgAmp))
Camp = Camp-adjust
CNCT = float(index[3])
CampW=pwr.dBtoW(Camp)
NampW=pwr.dBtoW(Namp)
value = TopCmds.SELECT("Adjusting the NC CP parameters:",\
"This will set\n 13C power to: " + str('%3.2f' %CampW)+ " W\n \
15N power to: " +str('%3.2f' %NampW) + " W",["Update", "Keep Previous"])
if value != 1:
TopCmds.PUTPAR("PLdB 17",str('%3.2f' %Namp))
TopCmds.PUTPAR("PLdB 16",str('%3.2f' %Camp))
TopCmds.PUTPAR("P 16",str('%3.2f' %CNCT))
TopCmds.PUTPAR("SPNAM 3",SP)
def DDec(units):
Stuff = []
p90 = float(TopCmds.GETPAR("P 32"))
amp = float(TopCmds.GETPAR("PLdB 31"))
MaxB1 = 1000000. / 4. / p90
CPD = TopCmds.GETPAR2("CPDPRG 5")
if CPD == "mlev" or CPD == "None":
TopCmds.XCMD("cpdprg5")
CPD = (TopCmds.GETPAR2("CPDPRG 5"))
Stuff = CPDtools.CPDparse(CPD, "2D")
TopCmds.MSG(str(Stuff))
amp0 = CPDtools.Find_old_pl(Stuff[0])
decpw0 = CPDtools.Find_old_pw(Stuff[1], "2D")
B1_0 = MaxB1 * (math.pow(10, (amp - amp0) / 20.)) / 1000.
if B1_0 > 1.: B1out = '% .1f' % B1_0
if B1_0 <= 1.: B1out = '5.0'
index = TopCmds.INPUT_DIALOG("Mr Setup Input", "Decoupling Window", \
["Desired 2H Decoupling Amplitude","File"],\
[B1out,CPD],["kHz",""],["1","1",],\
["Accept","Close"], ['a','c'], 10)
TopCmds.PUTPAR("CPDPRG 5", index[1])
adjust = 20 * (math.log10(1000. * float(index[0]) / MaxB1))
ampli = amp - adjust
decpw = (MaxB1 / 1000. / float(index[0])) * 2 * p90
if units == "W":
ampli = dBtoW(ampli)
value = TopCmds.SELECT("Adjusting the D decoupling parameters:",\
"This will set\n 2H power ("+ Stuff[0] +") to: "+ str('%3.2f' %ampli)+" "+ units+"\n \
Pulse width (" + Stuff[1] +"= 180deg) to: " +str('%3.2f' %decpw) + " us",["Update", "Keep Previous"])
if value != 1:
if Stuff[0] == '':
TopCmds.PUTPAR("PL" + units + " 25", str('%3.2f' % ampli))
elif Stuff[0] == 'pl25':
TopCmds.PUTPAR("PL" + units + " 25", str('%3.2f' % ampli))
elif Stuff[0] == 'pl12':
TopCmds.MSG(
"You are using pl12 for 2H decouling. It is usually reserved for 1H \n Please verify"
)
#TopCmds.PUTPAR("PLdB 12",str('%3.2f' %ampli))
elif Stuff[0] == 'pl13':
TopCmds.MSG(
"You are using pl13 for 2H decouling. It is usually reserved for 1H \n Please verify"
)
#TopCmds.PUTPAR("PLdB 13",str('%3.2f' %ampli))
elif Stuff[0] == 'pl14':
TopCmds.MSG(
"You are using pl14 for 2H decouling. It is usually reserved for 1H \n Please verify"
)
#TopCmds.PUTPAR("PLdB 14",str('%3.2f' %ampli))
if Stuff[1] == 'pcpd':
TopCmds.PUTPAR("PCPD 5", str('%3.2f' % decpw))
elif Stuff[1] == 'p31':
TopCmds.PUTPAR("P 31", str('%3.2f' % decpw))
TopCmds.PUTPAR("P 30", str('%3.2f' % decpw))
elif Stuff[1] == 'p62':
TopCmds.PUTPAR("P 61", str('%3.2f' % decpw))
TopCmds.PUTPAR("P 62", str('%3.2f' % decpw))
def HC(units):
#44,45
p90H = float(TopCmds.GETPAR("P 3"))
ampH = float(TopCmds.GETPAR("PLdB 2"))
p90C = float(TopCmds.GETPAR("P 1"))
ampC = float(TopCmds.GETPAR("PLdB 1"))
MAS = float(TopCmds.GETPAR("CNST 31"))
SPH = TopCmds.GETPAR2("SPNAM 44")
SPH0 = TopCmds.GETPAR2("SPNAM 40")
CNCT = float(TopCmds.GETPAR("P 44"))
CNCT0 = float(TopCmds.GETPAR("P 15"))
MaxB1H = 1000000. / 4. / p90H
MaxB1C = 1000000. / 4. / p90C
if CNCT <= 1.00: CNCT = CNCT0
if SPH == "gauss" or SPH == "None" or SPH == "":
SPH = SPH0
TopCmds.PUTPAR("SPNAM 44", SPH)
TopCmds.XCMD("spnam44")
SPH = (TopCmds.GETPAR2("SPNAM 44"))
SPH.join()
Hav = IntShape.Integrate(SPH)
Hav0 = IntShape.Integrate(SPH0)
Hint = 0.01 * ((Hav)**2) / Hav0
#TopCmds.MSG("Hint "+str(Hint))
Hamp0 = float(TopCmds.GETPAR("SPdB 40"))
Camp0 = float(TopCmds.GETPAR("SPdB 41"))
B1H = MaxB1H * Hint * math.pow(10, (ampH - Hamp0) / 20.)
B1C = MaxB1C * math.pow(10, (ampC - Camp0) / 20.)
index = TopCmds.INPUT_DIALOG("H-C CP", "Contact and Ramp", \
["Proton B1 Field","H Ramp","Carbon B1 Field","Contact Time(P44)"],\
[str('%3.0f' %B1H),SPH,str('%3.0f' %B1C),str(CNCT)],\
["kHz","","kHz","us"],\
["1","1","1","1"],\
["Accept","Close"], ['a','c'], 10)
SP = index[1]
CNCT = float(index[3])
adjust = 20 * (math.log10(float(index[0]) / MaxB1H))
Hamp1 = ampH - adjust
AvgAmp = IntShape.Integrate(index[1]) / 100.
adjust = 20 * (math.log10(1. / AvgAmp))
Hamp = Hamp1 - adjust
adjust = 20 * (math.log10(float(index[2]) / MaxB1C))
Camp = ampC - adjust
if units == "W":
Hamp = Setup.dBtoW(Hamp)
Camp = Setup.dBtoW(Camp)
value = TopCmds.SELECT("Adjusting the CH CP parameters:",\
"This will set\n 1H power to: " + str('%3.2f' %Hamp)+" "+units+"\n \
13C power to: " +str('%3.2f' %Camp) + units,["Update", "Keep Previous"])
if value != 1:
TopCmds.PUTPAR("SP" + units + " 44", str('%3.2f' % Hamp))
TopCmds.PUTPAR("SP" + units + " 45", str('%3.2f' % Camp))
TopCmds.PUTPAR("PL" + units + " 44", str('%3.2f' % Hamp))
TopCmds.PUTPAR("PL" + units + " 45", str('%3.2f' % Camp))
TopCmds.PUTPAR("P 44", str('%3.2f' % CNCT))
TopCmds.PUTPAR("SPNAM 44", SP)
