oscarbranson / carbspec Goto Github PK
View Code? Open in Web Editor NEWTools for calculating pH and Alkalinity from spectrophotometric data.
Tools for calculating pH and Alkalinity from spectrophotometric data.
Dear Dr. Oscar Branson,
I am dealing with some spectra to calculate the pH. I used the baseline corrected spectral data from the Dickson CRM *.dat file and tested the code in different environments. It works on ipad with Pyto and on Windows as well. Great!
from carbspec import spectro # for doing the work
wv=np.array([407.203,407.386,407.569,407.752,...,695])
Abs=np.array([0.2700,0.2700,0.2700,0.2700,...,0])
spectro.pH_from_spectrum(wavelength=wv, spectrum=Abs, dye = 'MCP', Temperature = 26.311, Sal = 35, sigma = None)
The result: 8.00103+/- 0.00005, where the error is quite low! I expected higher errors.
Which pH scale is calculated - Total scale?
best regards
Matthias
Dear Oscar,
another quick question:
When I use the right syntax for the numpy arrays, I get the message: name 'spectro' is not defined.
for the line: sepectro.pH_from_spectrum(wv, Abs, dye='MCP', temp=26.311, sal=35)
I have installed all packages and I am not a python programer, only a stupid user...
best regards, Matthias
Dear Oscar Branson,
thank you very much for your research.
We are doing TA and pH measurements with spectrophotometric methods. We are using cleaned mCP for pH and BCP for TA determination.
I wanted to go for the Jupyter Notebook of carbspec and I failed with different browsers and different environments.
Are you so polite to check this error? Thank you very much. Best regards, Matthias
W
'"'"'/tmp/pip-req-build-6lz1xp2l/setup.py'"'"'; file='"'"'/tmp/pip-req-build-6lz1xp2l/setup.py'"'"';f
=getattr(tokenize, '"'"'open'"'"', open)(file);code=f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.
close();exec(compile(code, file, '"'"'exec'"'"'))' egg_info --egg-base /tmp/pip-pip-egg-info-8p9e2n9q
cwd: /tmp/pip-req-build-6lz1xp2l/
Complete output (9 lines):
Traceback (most recent call last):
File "", line 1, in
File "/tmp/pip-req-build-6lz1xp2l/setup.py", line 3, in
from carbspec import version
File "/tmp/pip-req-build-6lz1xp2l/carbspec/init.py", line 1, in
from carbspec import io, dye, alkalinity, spectro, helpers
File "/tmp/pip-req-build-6lz1xp2l/carbspec/io.py", line 2, in
import numpy as np
ModuleNotFoundError: No module named 'numpy'
----------------------------------------
ERROR: Command errored out with exit status 1: python setup.py egg_info Check the logs for full command output.
Removing intermediate container 1d44b7cdc8d6
The command '/bin/sh -c ${KERNEL_PYTHON_PREFIX}/bin/pip install --no-cache-dir .' returned a non-zero code: 1
Dear Oscar,
I am using exemplarly the dataset CRM2_DICKSON_D10_CRM_100556_03_12_2019.dat
when I am using the code like your suggestion "spectro.pH_from_spectrum(s['wavelength'], s['Abs'])":
from carbspec import spectro
spectro.pH_from_spectrum([407.203,407.386,407.569,407.752,407.935,408.118,408.302,408.485,408.668,408.852,409.035,409.219,409.402,409.586,409.77,409.954,410.137,410.321,410.505,410.689,410.873,411.057,411.241,411.425,411.61,411.794,411.978,412.162,412.347,412.531,412.716,412.9,413.085,413.27,413.454,413.639,413.824,414.009,414.193,414.378,414.563,414.748,414.934,415.119,415.304,415.489,415.674,415.86,416.045,416.23,416.416,416.601,416.787,416.973,417.158,417.344,417.53,417.716,417.901,418.087,418.273,418.459,418.645,418.831,419.017,419.204,419.39,419.576,419.762,419.949,420.135,420.322,420.508,420.695,420.881,421.068,421.255,421.441,421.628,421.815,422.002,422.189,422.376,422.563,422.75,422.937,423.124,423.311,423.499,423.686,423.873,424.061,424.248,424.435,424.623,424.811,424.998,425.186,425.374,425.561,425.749,425.937,426.125,426.313,426.501,426.689,426.877,427.065,427.253,427.441,427.629,427.818,428.006,428.194,428.383,428.571,428.759,428.948,429.137,429.325,429.514,429.703,429.891,430.08,430.269,430.458,430.647,430.836,431.025,431.214,431.403,431.592,431.781,431.97,432.16,432.349,432.538,432.728,432.917,433.106,433.296,433.485,433.675,433.865,434.054,434.244,434.434,434.624,434.813,435.003,435.193,435.383,435.573,435.763,435.953,436.143,436.334,436.524,436.714,436.904,437.095,437.285,437.475,437.666,437.856,438.047,438.237,438.428,438.619,438.809,439,439.191,439.382,439.572,439.763,439.954,440.145,440.336,440.527,440.718,440.909,441.1,441.292,441.483,441.674,441.865,442.057,442.248,442.44,442.631,442.823,443.014,443.206,443.397,443.589,443.781,443.972,444.164,444.356,444.548,444.74,444.931,445.123,445.315,445.507,445.699,445.892,446.084,446.276,446.468,446.66,446.853,447.045,447.237,447.43,447.622,447.814,448.007,448.2,448.392,448.585,448.777,448.97,449.163,449.355,449.548,449.741,449.934,450.127,450.32,450.513,450.706,450.899,451.092,451.285,451.478,451.671,451.864,452.058,452.251,452.444,452.638,452.831,453.024,453.218,453.411,453.605,453.798,453.992,454.186,454.379,454.573,454.767,454.96,455.154,455.348,455.542,455.736,455.93,456.124,456.318,456.512,456.706,456.9,457.094,457.288,457.482,457.676,457.871,458.065,458.259,458.454,458.648,458.842,459.037,459.231,459.426,459.62,459.815,460.009,460.204,460.399,460.593,460.788,460.983,461.178,461.373,461.567,461.762,461.957,462.152,462.347,462.542,462.737,462.932,463.127,463.323,463.518,463.713,463.908,464.103,464.299,464.494,464.689,464.885,465.08,465.276,465.471,465.666,465.862,466.058,466.253,466.449,466.644,466.84,467.036,467.231,467.427,467.623,467.819,468.015,468.211,468.406,468.602,468.798,468.994,469.19,469.386,469.582,469.779,469.975,470.171,470.367,470.563,470.759,470.956,471.152,471.348,471.545,471.741,471.938,472.134,472.33,472.527,472.723,472.92,473.117,473.313,473.51,473.706,473.903,474.1,474.297,474.493,474.69,474.887,475.084,475.281,475.477,475.674,475.871,476.068,476.265,476.462,476.659,476.856,477.054,477.251,477.448,477.645,477.842,478.039,478.237,478.434,478.631,478.829,479.026,479.223,479.421,479.618,479.816,480.013,480.211,480.408,480.606,480.803,481.001,481.198,481.396,481.594,481.791,481.989,482.187,482.385,482.582,482.78,482.978,483.176,483.374,483.572,483.77,483.968,484.166,484.364,484.562,484.76,484.958,485.156,485.354,485.552,485.75,485.948,486.147,486.345,486.543,486.741,486.94,487.138,487.336,487.535,487.733,487.931,488.13,488.328,488.527,488.725,488.924,489.122,489.321,489.519,489.718,489.916,490.115,490.314,490.512,490.711,490.91,491.109,491.307,491.506,491.705,491.904,492.103,492.301,492.5,492.699,492.898,493.097,493.296,493.495,493.694,493.893,494.092,494.291,494.49,494.689,494.888,495.088,495.287,495.486,495.685,495.884,496.083,496.283,496.482,496.681,496.881,497.08,497.279,497.479,497.678,497.877,498.077,498.276,498.476,498.675,498.875,499.074,499.274,499.473,499.673,499.872,500.072,500.271,500.471,500.671,500.87,501.07,501.27,501.469,501.669,501.869,502.069,502.268,502.468,502.668,502.868,503.068,503.268,503.468,503.667,503.867,504.067,504.267,504.467,504.667,504.867,505.067,505.267,505.467,505.667,505.867,506.067,506.267,506.468,506.668,506.868,507.068,507.268,507.468,507.669,507.869,508.069,508.269,508.469,508.67,508.87,509.07,509.271,509.471,509.671,509.872,510.072,510.272,510.473,510.673,510.874,511.074,511.275,511.475,511.675,511.876,512.076,512.277,512.478,512.678,512.879,513.079,513.28,513.48,513.681,513.882,514.082,514.283,514.484,514.684,514.885,515.086,515.286,515.487,515.688,515.888,516.089,516.29,516.491,516.692,516.892,517.093,517.294,517.495,517.696,517.897,518.097,518.298,518.499,518.7,518.901,519.102,519.303,519.504,519.705,519.906,520.107,520.308,520.509,520.71,520.911,521.112,521.313,521.514,521.715,521.916,522.117,522.318,522.519,522.72,522.921,523.122,523.324,523.525,523.726,523.927,524.128,524.329,524.531,524.732,524.933,525.134,525.335,525.537,525.738,525.939,526.14,526.342,526.543,526.744,526.945,527.147,527.348,527.549,527.751,527.952,528.153,528.355,528.556,528.757,528.959,529.16,529.361,529.563,5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])
following error meassage ocurs in the module "Fitting.py" line 73: B0start = Abs[-10:].mean() # background:
AttributeError: 'list' object has no attribute 'mean'
how can I handle this error?
best regrads,
Matthias
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