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Merge b64b6d0 into 78d84a0
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@lewisamarshall
lewisamarshall committed Oct 2, 2020
2 parents 78d84a0 + b64b6d0 commit 9923cb3
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Showing 3 changed files with 95 additions and 101 deletions.
15 changes: 5 additions & 10 deletions create_database/create_database.py
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
from __future__ import print_function
from math import copysign
import simplejson as json
import json
import os
import numpy as np
import pandas as pd
Expand Down Expand Up @@ -28,10 +28,6 @@
}


def sig_fig(x):
return [decimal.Decimal('{0:.5e}'.format(i)) for i in x]


class DataCreator(object):

data = None
Expand Down Expand Up @@ -76,11 +72,10 @@ def load_nightingale(self):
data = pd.read_csv(fullpath, engine='python', header=0,
index_col=0, names=['value'])

nightingale_fits[ion] = {'fit': sig_fig(np.polyfit(data.index,
data['value'],
deg=8
)
),
nightingale_fits[ion] = {'fit': np.polyfit(data.index,
data['value'],
deg=8
).tolist(),
'min': min(data.index),
'max': max(data.index)
}
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180 changes: 90 additions & 90 deletions ionize/Database/ion_data.json
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Original file line number Diff line number Diff line change
Expand Up @@ -2749,15 +2749,15 @@
"name": "calcium",
"nightingale_data": {
"fit": [
3.50692E-16,
-1.42216E-13,
2.41805E-11,
-2.27320E-9,
1.31990E-7,
-0.00000499139,
0.000122136,
-0.00184782,
0.279069
3.506921439093486e-16,
-1.4221599760226474e-13,
2.4180539751755058e-11,
-2.2732017930183447e-09,
1.3199040090728603e-07,
-4.9913872700444734e-06,
0.0001221356463261506,
-0.0018478244910276728,
0.2790691957373408
],
"max": 99.4969,
"min": 0.1025
Expand Down Expand Up @@ -2896,15 +2896,15 @@
"name": "cesium",
"nightingale_data": {
"fit": [
2.81743E-13,
-5.27770E-11,
4.05091E-9,
-1.66005E-7,
0.00000398914,
-0.0000595867,
0.000629427,
-0.00823300,
0.788190
2.8174259162967467e-13,
-5.2777020717170596e-11,
4.050905315791659e-09,
-1.660047891787586e-07,
3.98913721557384e-06,
-5.958668815692347e-05,
0.0006294269381155116,
-0.008233000307600673,
0.7881903563056716
],
"max": 37.2251,
"min": 0.1188
Expand Down Expand Up @@ -5251,15 +5251,15 @@
"name": "hydrochloric acid",
"nightingale_data": {
"fit": [
-2.21371E-16,
8.86367E-14,
-1.43330E-11,
1.18880E-9,
-5.14538E-8,
7.92380E-7,
0.0000335302,
-0.00322098,
0.738166
-2.2137142181768285e-16,
8.863674452978512e-14,
-1.4332969511033391e-11,
1.1888046231183621e-09,
-5.1453760571080944e-08,
7.92380139931067e-07,
3.3530212792648715e-05,
-0.0032209848253278773,
0.7381662817975966
],
"max": 99.0894,
"min": 0.3302
Expand Down Expand Up @@ -5976,15 +5976,15 @@
"name": "lithium",
"nightingale_data": {
"fit": [
3.73525E-16,
-1.85806E-13,
3.69517E-11,
-3.79737E-9,
2.16089E-7,
-0.00000679588,
0.000111845,
-0.000809198,
0.345543
3.7352528214942754e-16,
-1.8580621260837556e-13,
3.695166107478152e-11,
-3.797367302183178e-09,
2.1608930337086762e-07,
-6.795877639034797e-06,
0.00011184462943017364,
-0.0008091978446376813,
0.3455432759293897
],
"max": 99.4497,
"min": 0.0587
Expand Down Expand Up @@ -6353,15 +6353,15 @@
"name": "magnesium",
"nightingale_data": {
"fit": [
1.64128E-15,
-7.36712E-13,
1.37595E-10,
-1.38165E-8,
8.04531E-7,
-0.0000273270,
0.000517379,
-0.00492228,
0.254708
1.641276012707646e-15,
-7.367120279629901e-13,
1.3759527201714994e-10,
-1.381654862760595e-08,
8.045308172187151e-07,
-2.7327023210879356e-05,
0.0005173785721390294,
-0.00492227673987166,
0.2547077086683089
],
"max": 99.5135,
"min": -0.2371
Expand Down Expand Up @@ -8242,15 +8242,15 @@
"name": "potassium",
"nightingale_data": {
"fit": [
-2.16410E-16,
8.80977E-14,
-1.35648E-11,
9.30100E-10,
-1.92067E-8,
-0.00000101704,
0.0000801792,
-0.00419138,
0.728263
-2.164099783484759e-16,
8.809769713524869e-14,
-1.356484512046485e-11,
9.30099523362874e-10,
-1.9206660212746574e-08,
-1.0170445806525706e-06,
8.017916285651477e-05,
-0.004191381829994833,
0.7282627896683684
],
"max": 99.1219,
"min": 0.159
Expand Down Expand Up @@ -8534,15 +8534,15 @@
"name": "rubidium",
"nightingale_data": {
"fit": [
2.81743E-13,
-5.27770E-11,
4.05091E-9,
-1.66005E-7,
0.00000398914,
-0.0000595867,
0.000629427,
-0.00823300,
0.788190
2.8174259162967467e-13,
-5.2777020717170596e-11,
4.050905315791659e-09,
-1.660047891787586e-07,
3.98913721557384e-06,
-5.958668815692347e-05,
0.0006294269381155116,
-0.008233000307600673,
0.7881903563056716
],
"max": 37.2251,
"min": 0.1188
Expand Down Expand Up @@ -8776,15 +8776,15 @@
"name": "silver",
"nightingale_data": {
"fit": [
3.95412E-16,
-1.68150E-13,
2.85549E-11,
-2.44638E-9,
1.09309E-7,
-0.00000242268,
0.0000374609,
-0.00210677,
0.595515
3.954115355039894e-16,
-1.6815002294026197e-13,
2.8554880960938044e-11,
-2.4463766627053653e-09,
1.0930852581737214e-07,
-2.422676519799443e-06,
3.746090700866612e-05,
-0.002106769968123648,
0.5955154793119255
],
"max": 99.3368,
"min": 0.0699
Expand All @@ -8808,15 +8808,15 @@
"name": "sodium",
"nightingale_data": {
"fit": [
1.83618E-15,
-7.77196E-13,
1.37267E-10,
-1.31349E-8,
7.36590E-7,
-0.0000243848,
0.000458983,
-0.00486881,
0.474734
1.8361801574480907e-15,
-7.771957712596198e-13,
1.3726743751090554e-10,
-1.3134854963866337e-08,
7.365899027645715e-07,
-2.4384750239327784e-05,
0.00045898277736910526,
-0.004868805581521699,
0.47473431420671763
],
"max": 99.5713,
"min": 0.1484
Expand Down Expand Up @@ -8972,15 +8972,15 @@
"name": "sulfuric acid",
"nightingale_data": {
"fit": [
-1.98567E-15,
8.02277E-13,
-1.32703E-10,
1.15397E-8,
-5.60954E-7,
0.0000147207,
-0.000169460,
0.00000852562,
0.273873
-1.985670584116811e-15,
8.022768724772736e-13,
-1.327032638822349e-10,
1.1539689180735592e-08,
-5.609542837694738e-07,
1.4720737445569812e-05,
-0.00016945986953276605,
8.525616998218444e-06,
0.2738733821548039
],
"max": 99.8824,
"min": 0.14400000000000002
Expand Down
1 change: 0 additions & 1 deletion requirements.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -4,4 +4,3 @@ numpy>=1.16.0
scipy>=1.4.0
Click>=7.0
biopython>=0.0.6
simplejson>=3.17.2

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