Data Reduction

This way to flank metheod data reduction:
flank method data reduction program

Datasets

Preparing the Sample File

File Type
The file needs to be a csv file saved in the UTF-8 format. Some Excel versions have problems saving to UTF-8. Apple Numbers allows simple export to csv UTF-8.

General Spreadsheet Layout
The first row needs to be the categories, and there must not be any additional rows after the final sample row.

Sample Naming Conventions
drift standard – which are also in the sample file?! sample

Required Categories
The spreadsheet needs to have the following categories (=column headers). Some of the categories are automatically renamed by the program. The categories can be sorted in any order.

Point
Will be renamed to: Point Nr.
This category is used in a number of plots on the x-axis, thereby allowing the quick identification of a sample that might have a bad analyses, and one might wants to not include.

Comment
Will be renamed to: Name
Provides the name of the sample.

Inspected
Will not be renamed
This needs to be added manually by simply duplicating the ‘Comment’ column (= copy&paste a second ‘Comment’ column next to it) and then renaming the duplicated ‘Comment’ column to ‘Inspected’.

oxide_name(Mass%)
Will be renamed to: oxide_name (wt%)
For example, categories need to be: SiO2(Mass%), Al2O3(Mass%), and so on. These are renamed to the common> SiO2 (wt%), Al2O3 (wt%), and so on. There is no need for specific oxides, except for, of course, FeO(Mass%).

Bi(Net), Ar(Net), Br(Net), As(Net)
Will be renamed to: Lb (2TAPL), La (2TAPL), Lb (4TAPL), Ls (4TAPL)
These are the fake elements in the measurement program of the EPMA. It is assumed that in the measurement program Bi and Ar are measured on channel 2, crystal TAPL, and Br and As are measured on channel 4 and also crystal TAPL. This is, because of the renaming of these categories as given above.

Additionnal Categories
It is possible to have as many other categories as wanted in the file. These are simply ignored. It might be sensible to include an addtional ‘Comment’ category to add specific notes.

The Test Dataset

import pandas as pd
df = pd.read_csv('data/moessbauer standard data.csv')
df

Table 1: The layout of a sample file
	Name	Fe3+/SumFe	Fe2+/SumFe	Fe3+/SumFe - Milliprobe	Fe2+/SumFe - Milliprobe	Fe3+/SumFe - Alan	Fe2+/SumFe - Alan	FeO (wt%)	Source	Comment	...	Al2O3	Cr2O3	MnO	NiO	MgO	CaO	Na2O	K2O	P2O5	Total
0	AlmO_OX3	0.0310	0.9690	NaN	NaN	NaN	NaN	26.320170	Own	yes; also for drift checks	...	22.239872	0.030173	2.602371	0.002886	9.040556	1.759974	0.012232	0.000688	0.046936	100.756362
1	AlmO_3R80	0.0310	0.9690	NaN	NaN	NaN	NaN	26.320170	Own	yes; also for drift checks	...	22.239872	0.030173	2.602371	0.002886	9.040556	1.759974	0.012232	0.000688	0.046936	100.756362
2	UA5_STDH1	0.1260	0.8740	NaN	NaN	NaN	NaN	8.187705	Own	yes	...	19.294432	4.329497	0.314988	0.011872	19.963503	5.223773	0.060709	0.000537	0.029390	99.501600
3	UA5_STD1	0.1260	0.8740	NaN	NaN	NaN	NaN	8.187705	Own	yes	...	19.294432	4.329497	0.314988	0.011872	19.963503	5.223773	0.060709	0.000537	0.029390	99.501600
4	UA10_STDH1	0.0680	0.9320	NaN	NaN	NaN	NaN	7.720274	Own	yes, or as secondary std if UA17 is used for c...	...	20.201494	4.916704	0.404230	0.006607	19.910239	4.991592	0.028982	0.000559	0.033486	99.777894
5	UA17	0.0410	0.9590	NaN	NaN	NaN	NaN	7.876626	Own	yes, or as secondary std if UA10 is used for c...	...	18.927004	6.898900	0.476722	0.003809	19.985595	4.184091	0.019234	0.000503	0.008328	99.500601
6	Damknolle_STDH1	0.0440	0.9560	NaN	NaN	NaN	NaN	19.560054	Own	yes	...	22.225354	0.007133	0.546295	0.003201	10.658782	7.397527	0.047401	0.000476	0.075635	100.197047
7	AND1	1.0000	0.0000	NaN	NaN	NaN	NaN	26.810507	Own	yes, but only if samples with high Fe3+ are ex...	...	0.830842	0.002391	1.112483	0.002999	0.128204	32.237360	0.005473	0.000292	0.009402	96.561556
8	AlmFRA1	0.0310	0.9690	NaN	NaN	NaN	NaN	43.353357	Own	yes, can be used instead of AlmMcGuire, also f...	...	20.458191	0.001948	0.045563	0.002812	0.380259	0.523107	0.020614	0.000687	0.137164	101.024656
9	Kakanui Pyrope USNM 143968	0.0460	0.9540	NaN	NaN	NaN	NaN	10.369326	Own	NaN	...	23.562627	0.095569	0.323924	0.007582	18.494437	5.214300	0.022057	0.000762	0.022381	99.944108
10	Mir1	0.0490	0.9510	NaN	NaN	NaN	NaN	11.330800	Own	NaN	...	23.134600	0.008838	0.350604	0.010082	17.575000	5.619000	0.023476	0.000198	0.024128	99.429082
11	Mir13	0.0370	0.9630	NaN	NaN	NaN	NaN	13.880667	Own	NaN	...	22.760533	0.003304	0.382027	0.007724	15.464800	6.136000	0.026907	0.000616	0.013578	99.587709
12	Mir2	0.0390	0.9610	NaN	NaN	NaN	NaN	13.074933	Own	NaN	...	22.992267	0.005659	0.370480	0.006072	16.208000	5.874000	0.022725	0.000649	0.022854	99.950979
13	Mir23	0.0550	0.9450	NaN	NaN	NaN	NaN	10.776000	Own	NaN	...	23.368700	0.020025	0.336215	0.008373	18.006400	5.446400	0.021542	0.000443	0.022586	99.730395
14	KerGB	0.0510	0.9490	NaN	NaN	NaN	NaN	10.304700	Own	NaN	...	23.321600	0.112364	0.321250	0.006940	18.460500	5.238900	0.020336	0.000627	0.019979	99.657858
15	MirPlusGrt_McC_ABW	0.1815	0.8185	0.18	0.82	0.183	0.817	7.352000	Rankenburg et al. CMP 2004	Heidi's quantitative measurement	...	9.647000	0.009000	0.144000	0.032000	14.348000	16.756000	1.291000	0.002000	0.010000	98.458000
16	Gumja1_McC	0.3400	0.6600	0.34	0.66	0.329	0.671	8.814000	Rankenburg et al. CMP 2004	Heidi's quantitative measurement	...	9.858000	0.011000	0.143000	0.014000	12.447000	17.133000	1.643000	0.002000	0.016000	99.227000
17	Gumja1_ABW	0.3290	0.6710	NaN	NaN	NaN	NaN	8.814000	NaN	NaN	...	9.858000	0.011000	0.143000	0.014000	12.447000	17.133000	1.643000	0.002000	0.016000	99.227000
18	Dam+_McC	0.1400	0.8600	0.14	0.86	0.177	0.823	6.164000	Rankenburg et al. CMP 2004	Heidi's quantitative measurement	...	8.059000	0.075000	0.145000	0.038000	17.043000	16.080000	1.028000	0.002000	0.008000	100.129000
19	Dam+_ABW	0.1770	0.8230	NaN	NaN	NaN	NaN	6.164000	NaN	NaN	...	8.059000	0.075000	0.145000	0.038000	17.043000	16.080000	1.028000	0.002000	0.008000	100.129000
20	F-6_ABW	0.1050	0.8950	0.05	0.95	0.105	0.895	2.510000	Lazarov et al. Lithos 2009	NaN	...	1.480760	1.399960	0.105560	0.061800	17.882800	19.244400	1.412000	0.081680	0.004760	99.344240
21	F-6_McC_bulk	0.1000	0.9000	NaN	NaN	NaN	NaN	NaN	NaN	more crystals in case Fe is too low	...	1.480760	1.399960	0.105560	0.061800	17.882800	19.244400	1.412000	0.081680	0.004760	99.344240
22	F-8_McC	0.1000	0.9000	0.10	0.90	0.154	0.846	2.280000	Lazarov et al. Lithos 2009	NaN	...	1.560000	1.730000	0.100000	0.060000	18.150000	19.370000	1.490000	0.070000	NaN	99.860000
23	F-8_ABW	0.1540	0.8460	NaN	NaN	NaN	NaN	2.280000	NaN	NaN	...	1.560000	1.730000	0.100000	0.060000	18.150000	19.370000	1.490000	0.070000	NaN	99.860000
24	F-8_McC_bulk	0.1300	0.8700	NaN	NaN	0.130	0.870	2.280000	NaN	Catherine McCammon, July 2019	...	1.560000	1.730000	0.100000	0.060000	18.150000	19.370000	1.490000	0.070000	NaN	99.860000
25	Gold1_McC_ABW	0.5000	0.5000	0.50	0.50	0.500	0.500	6.687600	Alan's sample, bachelor thesis	EPMA analysis might be wrong (sample mixed up)	...	5.383200	0.005160	0.115440	0.008760	13.092400	23.112000	0.656840	0.003320	0.008960	99.214160
26	Gold2_McC_ABW	0.3650	0.6350	0.37	0.63	0.360	0.640	4.370000	Alan's sample, bachelor thesis	very large crystal, may contain 2nd phase	...	4.415600	0.042680	0.098440	0.018280	14.960000	22.682800	0.568400	0.003520	0.006880	99.295480
27	Gold6_McC	0.4200	0.5800	0.42	0.58	0.460	0.540	6.000000	Alan's sample, bachelor thesis	EPMA analysis might be wrong (sample mixed up)	...	5.012800	0.006880	0.113920	0.010160	13.734000	22.978000	0.612840	0.004680	0.009640	99.271960
28	Gold6_ABW	0.4600	0.5400	NaN	NaN	NaN	NaN	6.000000	NaN	NaN	...	5.012800	0.006880	0.113920	0.010160	13.734000	22.978000	0.612840	0.004680	0.009640	99.271960
29	RK10 grün_McC	0.4200	0.5800	0.42	0.58	0.330	0.670	6.230000	Alan's sample, bachelor thesis	Sina's quant. measurement, EPMA might be wrong...	...	5.360000	NaN	0.110000	NaN	13.740000	23.560000	0.550000	NaN	NaN	99.900000
30	RK10 grün_ABW	0.3300	0.6700	NaN	NaN	NaN	NaN	6.230000	NaN	NaN	...	5.360000	NaN	0.110000	NaN	13.740000	23.560000	0.550000	NaN	NaN	99.900000
31	RK12_McC	0.3900	0.6100	0.39	0.61	0.310	0.690	3.982000	Alan's sample, bachelor thesis	Heidi's quantitative measurement	...	2.879000	0.241000	0.094000	0.030000	16.624000	22.622000	0.375000	0.002000	0.008000	100.276000
32	RK12_ABW	0.3100	0.6900	NaN	NaN	NaN	NaN	3.982000	NaN	NaN	...	2.879000	0.241000	0.094000	0.030000	16.624000	22.622000	0.375000	0.002000	0.008000	100.276000
33	DR1_McC_bulk	0.1200	0.8800	NaN	NaN	0.120	0.880	3.055600	Pierre Bouilhol's sample	NaN	...	0.885200	0.064520	0.121680	0.133560	15.634400	24.828000	0.423720	0.000400	0.009200	99.788680
34	DR2_McC_bulk	0.2600	0.7400	NaN	NaN	0.260	0.740	1.101640	Pierre Bouilhol's sample	NaN	...	0.238400	0.589800	0.058000	0.031040	17.265600	24.688800	0.384760	0.000760	0.005760	99.125480
35	DR3_McC_bulk	0.2200	0.7800	NaN	NaN	0.220	0.780	1.398800	Pierre Bouilhol's sample	NaN	...	0.219400	0.354480	0.059200	0.025720	17.265600	24.551600	0.368680	0.001160	0.005000	99.042240
36	GB1_McC	0.1200	0.8800	0.12	0.88	NaN	NaN	1.045720	Gerhard Brey's sample from Sibiria, hydrothermal	NaN	...	0.203920	0.545800	0.055600	0.034520	17.242400	24.758400	0.326400	0.001200	0.006480	99.239040
37	GB1_McC_bulk	0.1400	0.8600	NaN	NaN	0.140	0.860	1.045720	NaN	Catherine McCammon, 9 days collecting time, Se...	...	0.203920	0.545800	0.055600	0.034520	17.242400	24.758400	0.326400	0.001200	0.006480	99.239040
38	KPulsD_ABW	0.2600	0.7400	NaN	NaN	0.260	0.740	3.084800	Alan's sample, Pulsator Dump in Kimberley	unpublished; no milliprobe measurements	...	1.042760	0.645440	0.088520	0.014080	16.420800	21.593600	1.376800	0.007600	0.008200	99.236720
39	KPulsE_ABW	0.3000	0.7000	NaN	NaN	0.300	0.700	3.290800	Alan's sample, Pulsator Dump in Kimberley	unpublished; no milliprobe measurements	...	2.749600	1.177520	0.098280	0.031000	15.506000	18.503600	2.703600	0.012880	0.009720	99.133520
40	KPulsF_ABW	0.2700	0.7300	NaN	NaN	0.270	0.730	3.168000	Alan's sample, Pulsator Dump in Kimberley	unpublished; no milliprobe measurements	...	1.179280	0.770800	0.087560	0.012480	16.115200	21.374800	1.553600	0.008920	0.006760	99.371760
41	Hedenbergite_11	0.0000	1.0000	NaN	NaN	NaN	NaN	24.647600	MPI - ?	NaN	...	1.290172	0.000890	3.230400	0.003646	1.042498	22.030800	0.275894	0.000490	0.004814	99.679970
42	Hypersthene_12	0.0000	1.0000	NaN	NaN	NaN	NaN	15.548700	Smithsonian, Jarosewitch	NaN	...	1.083963	0.767247	0.520872	0.003100	26.219167	1.529667	0.012525	0.002407	0.003290	99.775928
43	Acmite_A11	1.0000	0.0000	NaN	NaN	NaN	NaN	31.518400	Bill Hibberson synthesis	NaN	...	0.010806	0.007576	0.011590	0.002580	0.011240	0.034456	12.993200	0.026886	0.002076	96.359620
44	Ferrosilite_A12	0.0000	1.0000	NaN	NaN	NaN	NaN	53.587500	Bayreuth (O'Neill?) synthesis	NaN	...	0.000000	0.000000	0.010000	0.010000	0.020000	0.010000	0.010000	0.000000	0.000000	99.610000
45	Sy422	0.7900	0.2100	NaN	NaN	NaN	NaN	7.257800	Horst Marschall	Alan Woodland Mössb.	...	1.375973	0.560516	0.352475	0.125073	19.440784	9.978235	1.810392	0.107967	0.002367	96.905500
46	Sy402	0.4800	0.5200	NaN	NaN	NaN	NaN	6.946600	Horst Marschall	Alan Woodland Mössb.	...	10.356200	0.013200	0.093328	0.055566	12.803600	0.406324	7.205800	0.018512	0.001676	96.709382
47	Asti27_Jadeite	1.0000	0.0000	NaN	NaN	NaN	NaN	0.143300	NaN	NaN	...	25.060000	0.000000	0.000000	0.008600	0.080100	0.149900	14.830000	0.002900	0.013700	99.733500
48	Jesse_cpx	0.2200	0.7800	NaN	NaN	NaN	NaN	2.925700	NaN	NaN	...	9.590000	1.260000	0.030000	0.040000	9.990000	14.730000	5.800000	0.000000	0.010000	99.850000

49 rows × 23 columns

Moessbauer Standard File

The file contains standards for currenlty garnet and pyroxene. Any standard used for the flank method must be in the Moessbauer standard file. The file contains the name, mineral type, Fe3+/FeT (atom-ratio), Fe2+/FeT (atom-ratio), soure where the standard comes from, an opitional comment, the total no. of measurements, and the oxide composition of the standard in wt%. The Fe3+/FeT ratios of some standards have been measured by different techniques or laboratories, and the Fe3+/FeT values from the various techniques/laboratories are given, and can be choosen from in the flank data reduction program.

Adding new Standards

Each new standard that needs to be used for the flank method needs to be added to the Moessbauer stanard file. Should you wish to add a new standard, drop me an email with the required details and I will update the file with this new standard.

The Moessbauer Standard File

Fe3+/FeT is an atom-ratio. Oxide-Concentrations are in wt%.

import pandas as pd
pd.read_csv('data/moessbauer standard data.csv')

Table 2: The standard file used in the flank method program
	Name	Fe3+/SumFe	Fe2+/SumFe	Fe3+/SumFe - Milliprobe	Fe2+/SumFe - Milliprobe	Fe3+/SumFe - Alan	Fe2+/SumFe - Alan	FeO (wt%)	Source	Comment	...	Al2O3	Cr2O3	MnO	NiO	MgO	CaO	Na2O	K2O	P2O5	Total
0	AlmO_OX3	0.0310	0.9690	NaN	NaN	NaN	NaN	26.320170	Own	yes; also for drift checks	...	22.239872	0.030173	2.602371	0.002886	9.040556	1.759974	0.012232	0.000688	0.046936	100.756362
1	AlmO_3R80	0.0310	0.9690	NaN	NaN	NaN	NaN	26.320170	Own	yes; also for drift checks	...	22.239872	0.030173	2.602371	0.002886	9.040556	1.759974	0.012232	0.000688	0.046936	100.756362
2	UA5_STDH1	0.1260	0.8740	NaN	NaN	NaN	NaN	8.187705	Own	yes	...	19.294432	4.329497	0.314988	0.011872	19.963503	5.223773	0.060709	0.000537	0.029390	99.501600
3	UA5_STD1	0.1260	0.8740	NaN	NaN	NaN	NaN	8.187705	Own	yes	...	19.294432	4.329497	0.314988	0.011872	19.963503	5.223773	0.060709	0.000537	0.029390	99.501600
4	UA10_STDH1	0.0680	0.9320	NaN	NaN	NaN	NaN	7.720274	Own	yes, or as secondary std if UA17 is used for c...	...	20.201494	4.916704	0.404230	0.006607	19.910239	4.991592	0.028982	0.000559	0.033486	99.777894
5	UA17	0.0410	0.9590	NaN	NaN	NaN	NaN	7.876626	Own	yes, or as secondary std if UA10 is used for c...	...	18.927004	6.898900	0.476722	0.003809	19.985595	4.184091	0.019234	0.000503	0.008328	99.500601
6	Damknolle_STDH1	0.0440	0.9560	NaN	NaN	NaN	NaN	19.560054	Own	yes	...	22.225354	0.007133	0.546295	0.003201	10.658782	7.397527	0.047401	0.000476	0.075635	100.197047
7	AND1	1.0000	0.0000	NaN	NaN	NaN	NaN	26.810507	Own	yes, but only if samples with high Fe3+ are ex...	...	0.830842	0.002391	1.112483	0.002999	0.128204	32.237360	0.005473	0.000292	0.009402	96.561556
8	AlmFRA1	0.0310	0.9690	NaN	NaN	NaN	NaN	43.353357	Own	yes, can be used instead of AlmMcGuire, also f...	...	20.458191	0.001948	0.045563	0.002812	0.380259	0.523107	0.020614	0.000687	0.137164	101.024656
9	Kakanui Pyrope USNM 143968	0.0460	0.9540	NaN	NaN	NaN	NaN	10.369326	Own	NaN	...	23.562627	0.095569	0.323924	0.007582	18.494437	5.214300	0.022057	0.000762	0.022381	99.944108
10	Mir1	0.0490	0.9510	NaN	NaN	NaN	NaN	11.330800	Own	NaN	...	23.134600	0.008838	0.350604	0.010082	17.575000	5.619000	0.023476	0.000198	0.024128	99.429082
11	Mir13	0.0370	0.9630	NaN	NaN	NaN	NaN	13.880667	Own	NaN	...	22.760533	0.003304	0.382027	0.007724	15.464800	6.136000	0.026907	0.000616	0.013578	99.587709
12	Mir2	0.0390	0.9610	NaN	NaN	NaN	NaN	13.074933	Own	NaN	...	22.992267	0.005659	0.370480	0.006072	16.208000	5.874000	0.022725	0.000649	0.022854	99.950979
13	Mir23	0.0550	0.9450	NaN	NaN	NaN	NaN	10.776000	Own	NaN	...	23.368700	0.020025	0.336215	0.008373	18.006400	5.446400	0.021542	0.000443	0.022586	99.730395
14	KerGB	0.0510	0.9490	NaN	NaN	NaN	NaN	10.304700	Own	NaN	...	23.321600	0.112364	0.321250	0.006940	18.460500	5.238900	0.020336	0.000627	0.019979	99.657858
15	MirPlusGrt_McC_ABW	0.1815	0.8185	0.18	0.82	0.183	0.817	7.352000	Rankenburg et al. CMP 2004	Heidi's quantitative measurement	...	9.647000	0.009000	0.144000	0.032000	14.348000	16.756000	1.291000	0.002000	0.010000	98.458000
16	Gumja1_McC	0.3400	0.6600	0.34	0.66	0.329	0.671	8.814000	Rankenburg et al. CMP 2004	Heidi's quantitative measurement	...	9.858000	0.011000	0.143000	0.014000	12.447000	17.133000	1.643000	0.002000	0.016000	99.227000
17	Gumja1_ABW	0.3290	0.6710	NaN	NaN	NaN	NaN	8.814000	NaN	NaN	...	9.858000	0.011000	0.143000	0.014000	12.447000	17.133000	1.643000	0.002000	0.016000	99.227000
18	Dam+_McC	0.1400	0.8600	0.14	0.86	0.177	0.823	6.164000	Rankenburg et al. CMP 2004	Heidi's quantitative measurement	...	8.059000	0.075000	0.145000	0.038000	17.043000	16.080000	1.028000	0.002000	0.008000	100.129000
19	Dam+_ABW	0.1770	0.8230	NaN	NaN	NaN	NaN	6.164000	NaN	NaN	...	8.059000	0.075000	0.145000	0.038000	17.043000	16.080000	1.028000	0.002000	0.008000	100.129000
20	F-6_ABW	0.1050	0.8950	0.05	0.95	0.105	0.895	2.510000	Lazarov et al. Lithos 2009	NaN	...	1.480760	1.399960	0.105560	0.061800	17.882800	19.244400	1.412000	0.081680	0.004760	99.344240
21	F-6_McC_bulk	0.1000	0.9000	NaN	NaN	NaN	NaN	NaN	NaN	more crystals in case Fe is too low	...	1.480760	1.399960	0.105560	0.061800	17.882800	19.244400	1.412000	0.081680	0.004760	99.344240
22	F-8_McC	0.1000	0.9000	0.10	0.90	0.154	0.846	2.280000	Lazarov et al. Lithos 2009	NaN	...	1.560000	1.730000	0.100000	0.060000	18.150000	19.370000	1.490000	0.070000	NaN	99.860000
23	F-8_ABW	0.1540	0.8460	NaN	NaN	NaN	NaN	2.280000	NaN	NaN	...	1.560000	1.730000	0.100000	0.060000	18.150000	19.370000	1.490000	0.070000	NaN	99.860000
24	F-8_McC_bulk	0.1300	0.8700	NaN	NaN	0.130	0.870	2.280000	NaN	Catherine McCammon, July 2019	...	1.560000	1.730000	0.100000	0.060000	18.150000	19.370000	1.490000	0.070000	NaN	99.860000
25	Gold1_McC_ABW	0.5000	0.5000	0.50	0.50	0.500	0.500	6.687600	Alan's sample, bachelor thesis	EPMA analysis might be wrong (sample mixed up)	...	5.383200	0.005160	0.115440	0.008760	13.092400	23.112000	0.656840	0.003320	0.008960	99.214160
26	Gold2_McC_ABW	0.3650	0.6350	0.37	0.63	0.360	0.640	4.370000	Alan's sample, bachelor thesis	very large crystal, may contain 2nd phase	...	4.415600	0.042680	0.098440	0.018280	14.960000	22.682800	0.568400	0.003520	0.006880	99.295480
27	Gold6_McC	0.4200	0.5800	0.42	0.58	0.460	0.540	6.000000	Alan's sample, bachelor thesis	EPMA analysis might be wrong (sample mixed up)	...	5.012800	0.006880	0.113920	0.010160	13.734000	22.978000	0.612840	0.004680	0.009640	99.271960
28	Gold6_ABW	0.4600	0.5400	NaN	NaN	NaN	NaN	6.000000	NaN	NaN	...	5.012800	0.006880	0.113920	0.010160	13.734000	22.978000	0.612840	0.004680	0.009640	99.271960
29	RK10 grün_McC	0.4200	0.5800	0.42	0.58	0.330	0.670	6.230000	Alan's sample, bachelor thesis	Sina's quant. measurement, EPMA might be wrong...	...	5.360000	NaN	0.110000	NaN	13.740000	23.560000	0.550000	NaN	NaN	99.900000
30	RK10 grün_ABW	0.3300	0.6700	NaN	NaN	NaN	NaN	6.230000	NaN	NaN	...	5.360000	NaN	0.110000	NaN	13.740000	23.560000	0.550000	NaN	NaN	99.900000
31	RK12_McC	0.3900	0.6100	0.39	0.61	0.310	0.690	3.982000	Alan's sample, bachelor thesis	Heidi's quantitative measurement	...	2.879000	0.241000	0.094000	0.030000	16.624000	22.622000	0.375000	0.002000	0.008000	100.276000
32	RK12_ABW	0.3100	0.6900	NaN	NaN	NaN	NaN	3.982000	NaN	NaN	...	2.879000	0.241000	0.094000	0.030000	16.624000	22.622000	0.375000	0.002000	0.008000	100.276000
33	DR1_McC_bulk	0.1200	0.8800	NaN	NaN	0.120	0.880	3.055600	Pierre Bouilhol's sample	NaN	...	0.885200	0.064520	0.121680	0.133560	15.634400	24.828000	0.423720	0.000400	0.009200	99.788680
34	DR2_McC_bulk	0.2600	0.7400	NaN	NaN	0.260	0.740	1.101640	Pierre Bouilhol's sample	NaN	...	0.238400	0.589800	0.058000	0.031040	17.265600	24.688800	0.384760	0.000760	0.005760	99.125480
35	DR3_McC_bulk	0.2200	0.7800	NaN	NaN	0.220	0.780	1.398800	Pierre Bouilhol's sample	NaN	...	0.219400	0.354480	0.059200	0.025720	17.265600	24.551600	0.368680	0.001160	0.005000	99.042240
36	GB1_McC	0.1200	0.8800	0.12	0.88	NaN	NaN	1.045720	Gerhard Brey's sample from Sibiria, hydrothermal	NaN	...	0.203920	0.545800	0.055600	0.034520	17.242400	24.758400	0.326400	0.001200	0.006480	99.239040
37	GB1_McC_bulk	0.1400	0.8600	NaN	NaN	0.140	0.860	1.045720	NaN	Catherine McCammon, 9 days collecting time, Se...	...	0.203920	0.545800	0.055600	0.034520	17.242400	24.758400	0.326400	0.001200	0.006480	99.239040
38	KPulsD_ABW	0.2600	0.7400	NaN	NaN	0.260	0.740	3.084800	Alan's sample, Pulsator Dump in Kimberley	unpublished; no milliprobe measurements	...	1.042760	0.645440	0.088520	0.014080	16.420800	21.593600	1.376800	0.007600	0.008200	99.236720
39	KPulsE_ABW	0.3000	0.7000	NaN	NaN	0.300	0.700	3.290800	Alan's sample, Pulsator Dump in Kimberley	unpublished; no milliprobe measurements	...	2.749600	1.177520	0.098280	0.031000	15.506000	18.503600	2.703600	0.012880	0.009720	99.133520
40	KPulsF_ABW	0.2700	0.7300	NaN	NaN	0.270	0.730	3.168000	Alan's sample, Pulsator Dump in Kimberley	unpublished; no milliprobe measurements	...	1.179280	0.770800	0.087560	0.012480	16.115200	21.374800	1.553600	0.008920	0.006760	99.371760
41	Hedenbergite_11	0.0000	1.0000	NaN	NaN	NaN	NaN	24.647600	MPI - ?	NaN	...	1.290172	0.000890	3.230400	0.003646	1.042498	22.030800	0.275894	0.000490	0.004814	99.679970
42	Hypersthene_12	0.0000	1.0000	NaN	NaN	NaN	NaN	15.548700	Smithsonian, Jarosewitch	NaN	...	1.083963	0.767247	0.520872	0.003100	26.219167	1.529667	0.012525	0.002407	0.003290	99.775928
43	Acmite_A11	1.0000	0.0000	NaN	NaN	NaN	NaN	31.518400	Bill Hibberson synthesis	NaN	...	0.010806	0.007576	0.011590	0.002580	0.011240	0.034456	12.993200	0.026886	0.002076	96.359620
44	Ferrosilite_A12	0.0000	1.0000	NaN	NaN	NaN	NaN	53.587500	Bayreuth (O'Neill?) synthesis	NaN	...	0.000000	0.000000	0.010000	0.010000	0.020000	0.010000	0.010000	0.000000	0.000000	99.610000
45	Sy422	0.7900	0.2100	NaN	NaN	NaN	NaN	7.257800	Horst Marschall	Alan Woodland Mössb.	...	1.375973	0.560516	0.352475	0.125073	19.440784	9.978235	1.810392	0.107967	0.002367	96.905500
46	Sy402	0.4800	0.5200	NaN	NaN	NaN	NaN	6.946600	Horst Marschall	Alan Woodland Mössb.	...	10.356200	0.013200	0.093328	0.055566	12.803600	0.406324	7.205800	0.018512	0.001676	96.709382
47	Asti27_Jadeite	1.0000	0.0000	NaN	NaN	NaN	NaN	0.143300	NaN	NaN	...	25.060000	0.000000	0.000000	0.008600	0.080100	0.149900	14.830000	0.002900	0.013700	99.733500
48	Jesse_cpx	0.2200	0.7800	NaN	NaN	NaN	NaN	2.925700	NaN	NaN	...	9.590000	1.260000	0.030000	0.040000	9.990000	14.730000	5.800000	0.000000	0.010000	99.850000

49 rows × 23 columns

Test Datasets for Download

Should you want to test the flank method data reduction program, but have no dataset available, below are one dataset for the flank method and one to determine the crystal positions provided for download.

Flank Method

Download the flank method test-dataset from the following GitHub repo:
Flank Method Test-Dataset
This csv file can directly be used for upload in the flank method data reduction program:
->flank method data reduction program

Spectra for Crystal Positioning

Download the spectra test-dataset from the following GitHub repo:
Flank Method Test-Dataset This csv file can directly be used for upload in the flank method data reduction program, section ‘crystal positioning’:
->flank method data reduction program

Data Reduction

Datasets

Preparing the Sample File

The Test Dataset

Moessbauer Standard File

Adding new Standards

The Moessbauer Standard File

Test Datasets for Download

Flank Method

Spectra for Crystal Positioning

Documentation

Start & Data Upload

Data Reduction

Results Tables

Fe3+/SFe in Standard

Fe3+/SFe in Drift

Fe3+/SFe in Samples

Visualisations

Select your Detail

Drift Inspection

Comparing La & Lb

Parametrisation

Sample Inspection

Error Considerations

Results Inspection

GitHub

readme