import sys
import pyxs.slnXS as slnXS
import time
t0 = time.time()
slnXS.trans_mode = slnXS.TRANS_FROM_WAXS
slnXS.WAXS_THRESH = 100
# set plot_data=True to see curves from the individual files
# a label can be given to the averaged curve
d1 = slnXS.process(["lysb_5mg-1.90s", "lysb_5mg-2.90s", "lysb_5mg-3.90s"],
["lysb_buf-1.90s", "lysb_buf-2.90s", "lysb_buf-3.90s"],
detectors,
qmax=0.19, qmin=0.11, reft=-1,
conc=0,
save1d=True,
plot_data=True,
fix_scale=51.9,
filter_datasets=True,
similarity_threshold=0.5
)
t1 = time.time()
d1.save("tt")
t2 = time.time()
analyze(d1, qstart=0.02, qend=0.09, fix_qe=True, qcutoff=0.9, dmax=100)
plt.show()
print("Process Time: ", t1-t0)
print("Save Time: ", t2-t1)
print("Total Time: ", t2-t0)
import sys
import pyxs.slnXS as slnXS
slnXS.trans_mode = slnXS.TRANS_FROM_WAXS
slnXS.WAXS_THRESH = 100
if len(sys.argv) < 3:
print("Usage: proc.py sample buf protein_conc out_put_file")
print("multiple files can be given for sample and buf")
print('e.g. ./proc.py "lys20 file2" lysbuf4 3.7 lyso20.dat')
exit()
else:
# set plot_data=True to see curves from the individual files
# a label can be given to the averaged curve
d1 = slnXS.process(
sys.argv[1].split(),
sys.argv[2].split(),
detectors,
qmax=0.19,
qmin=0.11,
reft=-1,
conc=float(sys.argv[3]),
save1d=True,
fix_scale=51.9, # -51.5
)
d1.save(sys.argv[4])
analyze(d1, qstart=0.02, qend=0.09, fix_qe=True, qcutoff=0.9, dmax=100)
plt.show()
