This ÒPossinger_GCA_2021_readme.txtÓ file was generated on 20210903 by Angela R. 
Possinger. 

-------------------
GENERAL INFORMATION
-------------------

Title of Dataset: ÒData From: Co-precipitation Induces Changes to Iron and Carbon 
Chemistry and Spatial Distribution at the Nanometer ScaleÓ

Author Information (Name, Institution, Address, Email)

Associate or co-investigator (first author):  
Angela R. Possinger#
Cornell University
School of Integrative Plant Science
Soil and Crop Sciences Section
306 Tower Road
Ithaca, NY 14853
USA

#Current Affiliation: [1] CUNY Advanced Science Research Center at the Graduate 
Center, City University of New York, New York, NY 10031, USA; [2] Cary Institute of 
Ecosystem Studies, Millbrook, NY 12545, USA

Associate or co-investigator:  
Michael J. Zachman##
Cornell University
School of Applied and Engineering Physics
271 Clark Hall
Ithaca, NY 14853
USA 

##Current Affiliation: Center for Nanophase Materials Sciences, Oak Ridge National 
Laboratory, Oak Ridge, TN 37831, USA

Associate or co-investigator:  
James J. Dynes 
Canadian Light Source 
44 Innovation Boulevard 
Saskatoon, SK S7N 2V3
Canada

Associate or co-investigator:  
Tom Z. Regier 
Canadian Light Source 
44 Innovation Boulevard 
Saskatoon, SK S7N 2V3
Canada

Associate or co-investigator:  
Lena F. Kourkoutis
Cornell University
[1] School of Applied and Engineering Physics
271 Clark Hall
Ithaca, NY 14853
USA 

[2] Kavli Institute at Cornell for Nanoscale Science
420 Physical Sciences Building 
Ithaca, NY 14853
USA

Principal Investigator (corresponding author):  
Johannes Lehmann
[1] Cornell University
School of Integrative Plant Science
Soil and Crop Sciences Section
306 Tower Road
Ithaca, NY 14853 
USA

[2] Technical University of Munich
Institute for Advanced Study
Lichtenbergstra§e 2 a
85748 Garching bei MŸnchen
Germany

[3] Cornell Atkinson Center for Sustainability
340 Tower Road 
Ithaca, NY 14853
USA

Email: cl274@cornell.edu

Date of data collection (single date, range, approximate date): 06/01/2016-
08/01/2019

Geographic location of data collection: Organic soil samples were collected from the 
Hubbard Brook Experimental Forest, Woodstock, NH. Laboratory syntheses and basic 
sample characterization was conducted at Bradfield Hall and the Cornell Stable Isotope 
Laboratory at Cornell University, Ithaca, NY. X-ray spectroscopy was conducted at the 
Canadian Light Source (Saskatoon, SK) and the Cornell High Energy Synchrotron 
Source (Ithaca, NY). Imaging and microscopy work was conducted at the Cornell 
Center for Materials Research (Cornell University, Ithaca, NY). 

Information about funding sources or sponsorship that supported the collection 
of the data: Funding for this study was provided by the NSF IGERT in Cross-Scale 
Biogeochemistry and Climate at Cornell University (NSF Award #1069193) and the 
Technical University of Munich Institute for Advanced Studies. Additional research funds 
were provided by the Andrew W. Mellon Foundation and the Cornell College of 
Agriculture and Life Sciences Alumni Foundation. M.J.Z. and L.F.K. acknowledge 
support by the NSF (DMR-1654596) and Packard Foundation. This work uses research 
conducted at the Cornell High Energy Synchrotron Source (CHESS) which is supported 
by the National Science Foundation under award DMR-1332208. The Cornell Center for 
Materials Research (CCMR) is funded by NSF MRSEC (DMR-1719875). Research 
described in this paper was performed at the Canadian Light Source (CLS), which is 
supported by the Canada Foundation for Innovation, Natural Sciences and Engineering 
Research Council of Canada, the University of Saskatchewan, the Government of 
Saskatchewan, Western Economic Diversification Canada, the National Research 
Council Canada, and the Canadian Institutes of Health Research.

--------------------------
SHARING/ACCESS INFORMATION
-------------------------- 

Licenses/restrictions placed on the data, or limitations of reuse:  
This data is shared under a CC BY-NC license (https: 
//creativecommons.org/licenses/by-nc/4.0/); the data are free to use with proper 
attribution and acknowledgment of the original authors, and may not be used for 
commercial purposes. Users must also indicate that the conclusions and assumptions 
made from analysis of these data are not necessarily the view of the original authors, 
Cornell University, or the project funders (see funding agency information above).

Recommended citation for the data: 
Angela R. Possinger, Michael J. Zachman, James J. Dynes, Tom Z. Regier, Lena F. 
Kourkoutis, Johannes Lehmann. (2021) Data From: Co-precipitation Induces Changes 
to Iron and Carbon Chemistry and Spatial Distribution at the Nanometer Scale. [dataset] 
Cornell University eCommons Repository. https://doi.org/10.7298/6134-h423

Citation for and links to publications that cite or use the data:  
Possinger, A. R., Zachman, M. J., Dynes, J. J., Regier, T. Z., Kourkoutis, L. F., and 
Lehmann J. (2021) Co-precipitation induces changes to iron and carbon chemistry and 
spatial distribution at the nanometer scale. Geochim. Cosmochim. Acta [in press] 
https://doi.org/10.1016/j.gca.2021.09.003. 

Links to other publicly accessible locations of the data: 

Links/relationships to ancillary or related data sets:  

--------------------
DATA & FILE OVERVIEW
--------------------

File list (filenames, directory structure (for zipped files) and brief description of all 
data files): 

Abbreviations used in file list:  
STEM: Scanning transmission electron microscopy
EELS: Electron energy loss spectroscopy
ADF: Annular dark field
MCR: Multivariate curve resolution 
XAS: X-ray absorption spectroscopy 
XANES: X-ray absorption near-edge structure
WEOM: Water-extractable organic matter 
OM: Organic matter
GCA: Geochimica et Cosmochimica Acta
Fe: Iron
C: Carbon
N: Nitrogen
O: Oxygen 
CL: Core-loss EELS
LL: Low-loss EELS

#
#Set 1 Field sampling#####################
#
1.1. Filename: Field_Sampling_Locations_GCA.csv
Directory: Set 1 Field sampling
Brief description: Field site locations and site data
#
#Set 2 Total organic carbon#######
#
2.1. Filename: TOC_04-18-20.csv
Directory: Set 2 Total organic carbon
Brief Description: Total organic carbon of adsorbed and co-precipitated WEOM-Fe
#
#Set 3: Iron XAS############
#
3.1. Filename: Dec2017-DerivE.txt
Directory:  Set 3 Iron XAS
Brief Description: First derivative of iron X-ray absorption near-edge structure spectrum 
for samples analyzed in December 2017
#
3.2. Filename: May2017-DerivE.txt
Directory: Set 3 Iron XAS
Brief Description: First derivative of iron X-ray absorption near-edge structure spectrum 
for samples analyzed in May 2017
#
3.3. Filename: K2-standards.csv
Directory: Set 3 Iron XAS 
Brief Description: K2-weighted iron extended X-ray absorption fine structure spectra for 
standard compounds
#
3.4. Filename: K3-samples.txt
Directory: Set 3 Iron XAS
Brief Description: K3-weighted iron extended X-ray absorption fine structure spectra for 
adsorbed or co-precipitated WEOM-Fe samples 
#
3.5. Filename: R-K3-samples.txt
Directory: Set 3 Iron XAS
Brief Description: R-space transformation of K3-weighted iron extended X-ray 
absorption fine structure spectra for adsorbed or co-precipitated WEOM-Fe samples 
#
#Set 4 Carbon XANES#############
4.1. Filename: Coprecip-Ads-Deconvolution.txt
Directory: Set 4 Carbon XANES
Brief Description: Deconvolution results for carbon X-ray absorption near edge structure 
analysis
#
4.2. Filename: NEXAFS-Spectra-Model.csv
Directory: Set 4 Carbon XANES
Brief Description: Adsorbed and co-precipitated WEOM-Fe sample and reference 
organic matter carbon XANES spectra  
#
4.3. Filename: NEXAFS-deconvolution-functions.txt
Directory: Set 4 Carbon XANES
Brief Description: Adsorbed and co-precipitated WEOM-Fe sample and reference 
organic matter carbon XANES spectra and all Gaussian deconvolution functions
#
4.4. Filename: AFhU5.csv
Directory: Set 4 Carbon XANES
Brief Description:  Carbon XANES spectrum of adsorbed WEOM-Fe (WEOM Site 2) 
#
4.5. Filename: AFhU7.csv
Directory: Set 4 Carbon XANES
Brief Description:  Carbon XANES spectrum of adsorbed WEOM-Fe (WEOM Site 1) 
#
4.6. Filename: CitricAcid.csv
Directory: Set 4 Carbon XANES
Brief Description:  Carbon XANES spectrum of citric acid 
#
4.7. Filename: DOMU5.csv
Directory: Set 4 Carbon XANES
Brief Description:  Carbon XANES spectrum of WEOM from Site 2
#
4.8. Filename: DOMU7.csv
Directory: Set 4 Carbon XANES
Brief Description:  Carbon XANES spectrum of WEOM from Site 1
#
4.9. Filename: FhU5.csv
Directory: Set 4 Carbon XANES
Brief Description:  Carbon XANES spectrum of co-precipitated WEOM-Fe from Site 2
#
4.10. Filename: FhU7.csv
Directory: Set 4 Carbon XANES
Brief Description:  Carbon XANES spectrum of co-precipitated WEOM-Fe from Site 1
#
4.11. Filename: SA.csv
Directory: Set 4 Carbon XANES
Brief Description:  Carbon XANES spectrum of salicylic acid
#
4.12. Filename: Suc.csv
Directory: Set 4 Carbon XANES
Brief Description:  Carbon XANES spectrum of sucrose
#
#Set 5 Room-temperature EELS###########
#
5.1-5.24
Filenames: 
20_Sample C_ADF_100x100.dm3
20_Sample C_CL_100x100.dm3
20_Sample C_LL_100x100.dm3
21_Sample C_ADF_100x100.dm3
21_Sample C_CL_100x100.dm3
21_Sample C_LL_100x100.dm3
22_Sample C_ADF_100x100.dm3
22_Sample C_CL_100x100.dm3
22_Sample C_LL_100x100.dm3
25_Sample A_ADF_100x100.dm3
25_Sample A_CL_100x100.dm3
25_Sample A_LL_100x100.dm3
26_Sample A_ADF_100x100.dm3
26_Sample A_CL_100x100.dm3
26_Sample A_LL_100x100.dm3
27_Sample A_ADF_100x100.dm3
27_Sample A_CL_100x100.dm3
27_Sample A_LL_100x100.dm3
28_Sample A_ADF_50x50.dm3
28_Sample A_CL_50x50.dm3
28_Sample A_LL_50x50.dm3
29_Sample A_ADF_50x50.dm3
29_Sample A_CL_50x50.dm3
29_Sample A_LL_50x50.dm3
Directory: Set 5 Room-temperature EELS
Brief Description: Room-temperature EELS core-loss and low-loss spectrum images 
and associated ADF images for adsorption and co-precipitation WEOM-Fe samples. 
See ÒSet 11 EELS collection parametersÓ and detailed file information for sample ID key 
and further details.  
5.24-5.40
Filenames: 
Metadata_20_Sample C_CL_100x100.txt
Metadata_20_Sample C_LL_100x100.txt
Metadata_21_Sample C_CL_100x100.txt
Metadata_21_Sample C_LL_100x100.txt
Metadata_22_Sample C_CL_100x100.txt
Metadata_22_Sample C_LL_100x100.txt
Metadata_25_Sample A_CL_100x100.txt
Metadata_25_Sample A_LL_100x100.txt
Metadata_26_Sample A_CL_100x100.txt
Metadata_26_Sample A_LL_100x100.txt
Metadata_27_Sample A_CL_100x100.txt
Metadata_27_Sample A_LL_100x100.txt
Metadata_28_Sample A_CL_50x50.txt
Metadata_28_Sample A_LL_50x50.txt
Metadata_29_Sample A_CL_50x50.txt
Metadata_29_Sample A_LL_50x50.txt
Directory: Set 5 Room-temperature EELS
Brief Description: Metadata for room-temperature EELS core-loss and low-loss 
spectrum images and associated ADF images for adsorption and co-precipitation 
WEOM-Fe samples. See ÒSet 11 EELS collection parametersÓ and detailed file 
information for sample ID key and further details.

#Set 6 CryoEELS###################
6.1-6.23
Filenames:
07_Sample C_200 eV shift_104x103.dm3
07_Sample C_650 eV shift_104x103.dm3
07_Sample C_ADF_104x103.dm3
08_Sample C_200 eV shift_104x104.dm3
08_Sample C_650 eV shift_104x104.dm3
08_Sample C_ADF_104x104.dm3
11_Sample C_200 eV shift_100x100.dm3
11_Sample C_650 eV shift_100x100.dm3
11_Sample C_ADF_100x100.dm3
12_Sample C_200 eV shift_100x92.dm3
12_Sample C_650 eV shift_100x92.dm3
12_Sample C_ADF_100x92.dm3
14_Sample A_200 eV shift_100x100.dm3
14_Sample A_650 eV shift_100x100.dm3
14_Sample A_ADF_100x100.dm3
16_Sample A_200 eV shift_100x100_Dark.dm3
16_Sample A_200 eV shift_100x100.dm3
16_Sample A_650 eV shift_100x100_Dark.dm3
16_Sample A_650 eV shift_100x100.dm3
16_Sample A_ADF_100x100.dm3
18_Sample C_200 eV shift_100x100.dm3
18_Sample C_650 eV shift_100x100.dm3
18_Sample C_ADF_100x100.dm3
Directory: Set 6 CryoEELS
Brief Description: Cryogenic EELS core-loss and low-loss spectrum images and 
associated ADF images for adsorption and co-precipitation WEOM-Fe samples. See 
ÒSet 11 EELS collection parametersÓ and detailed file information for sample ID key and 
further details.  
#
6.24-6.37
Filenames: 
Metadata_07_Sample C_200 eV shift_104x103.txt
Metadata_07_Sample C_650 eV shift_104x103.txt
Metadata_08_Sample C_200 eV shift_104x104.txt
Metadata_08_Sample C_650 eV shift_104x104.txt
Metadata_11_Sample C_200 eV shift_100x100.txt
Metadata_11_Sample C_650 eV shift_100x100.txt
Metadata_12_Sample C_200 eV shift_100x92.txt
Metadata_12_Sample C_650 eV shift_100x92.txt
Metadata_14_Sample A_200 eV shift_100x100.txt
Metadata_14_Sample A_650 eV shift_100x100.txt
Metadata_16_Sample A_200 eV shift_100x100.txt
Metadata_16_Sample A_650 eV shift_100x100.txt
Metadata_18_Sample C_200 eV shift_100x100.txt
Metadata_18_Sample C_650 eV shift_100x100.txt
Directory: Set 6 CryoEELS
Brief Description: Metadata for cryogenic EELS core-loss and low-loss spectrum images 
and associated ADF images for adsorption and co-precipitation WEOM-Fe samples. 
See ÒSet 11 EELS collection parametersÓ and detailed file information for sample ID key 
and further details.  
#
#Set 7 Processed EELS elemental maps
#Set 7a ADF TIF
7a.1-7a.15
Filenames: 
07_ADF_104x103-TIF.tif
08_ADF_104x104-TIF.tif
11_ADF_100x100-TIF.tif
12_ADF_100x92-TIF.tif
14_ADF_100x100-TIF.tif
16_ADF_100x100-TIF.tif
18_ADF_100x100-TIF.tif
20_ADF_100x100-TIF.tif
21_ADF_100x100-TIF.tif
22_ADF_100x100-TIF.tif
25_ADF_100x100-TIF.tif
26_ADF_100x100-TIF.tif
27_ADF_100x100-TIF.tif
28_ADF_50x50-TIF.tif
29_ADF_50x50-TIF.tif

Directory: Set 7a ADF TIF
Brief Description: Processed ADF images for adsorption and co-precipitation WEOM-Fe 
samples. See ÒSet 11 EELS collection parametersÓ and detailed file information for 
sample ID key and further details.  

#Set 7b Binary images
7b.1-7b.15
Filenames: 
07_Total_Fe-filtered-cropped-binary.tif
08_Total_Fe-filtered-cropped-binary.tif
11_Total_Fe-filtered-cropped-binary.tif
12_Total_Fe-filtered-cropped-binary.tif
14_Total_Fe-filtered-cropped-binary.tif
16_Total_Fe-filtered-cropped-binary.tif
18_Total_Fe-filtered-cropped-binary.tif
20_Total_Fe-filtered-cropped-binary.tif
21_Total_Fe-filtered-cropped-binary.tif
22_Total_Fe-filtered-cropped-binary.tif
25_Total_Fe-filtered-cropped-binary.tif
26_Total_Fe-filtered-cropped-binary.tif
27_Total_Fe-filtered-cropped-binary.tif
28_Total_Fe-filtered-cropped-binary.tif
29_Total_Fe-filtered-cropped-binary.tif
Directory: Set 7b Binary images 
Brief Description: Processed binary images for adsorption and co-precipitation WEOM-
Fe samples. See ÒSet 11 EELS collection parametersÓ and detailed file information for 
sample ID key and further details.  

#Set 7c Filtered
7c.1-7c.46
Filenames: 
07_Total_C-filtered.tif
07_Total_Fe-filtered.tif
08_Total_C-filtered.tif
08_Total_Fe-filtered.tif
11_Total_C-filtered.tif
11_Total_Fe-filtered.tif
12_Total_C-filtered.tif
12_Total_Fe-filtered.tif
14_Total_C-filtered.tif
14_Total_Fe-filtered.tif
16_Total_C-filtered.tif
16_Total_Fe-filtered.tif
18_Total_C-filtered.tif
18_Total_Fe-filtered.tif
20_Total_C-filtered.tif
20_Total_Fe-filtered.tif
20_Total_N-filtered.tif
20_Total_O-filtered.tif
21_Total_C-filtered.tif
21_Total_Fe-filtered.tif
21_Total_N-filtered.tif
21_Total_O-filtered.tif
22_Total_C-filtered.tif
22_Total_Fe-filtered.tif
22_Total_N-filtered.tif
22_Total_O-filtered.tif
25_Total_C-filtered.tif
25_Total_Fe-filtered.tif
25_Total_N-filtered.tif
25_Total_O-filtered.tif
26_Total_C-filtered.tif
26_Total_Fe-filtered.tif
26_Total_N-filtered.tif
26_Total_O-filtered.tif
27_Total_C-filtered.tif
27_Total_Fe-filtered.tif
27_Total_N-filtered.tif
27_Total_O-filtered.tif
28_Total_C-filtered.tif
28_Total_Fe-filtered.tif
28_Total_N-filtered.tif
28_Total_O-filtered.tif
29_Total_C-filtered.tif
29_Total_Fe-filtered.tif
29_Total_N-filtered.tif
29_Total_O-filtered.tif

Directory: Set 7c Filtered 
Brief Description: Processed elemental map images with non-sample area removed for 
adsorption and co-precipitation WEOM-Fe samples. See ÒSet 11 EELS collection 
parametersÓ and detailed file information for sample ID key and further details.  

#Set 7d Mask 
7d.1-7d.46
Filenames: 
07_Total_C-mask.tif
07_Total_Fe-mask.tif
08_Total_C-mask.tif
08_Total_Fe-mask.tif
11_Total_C-mask.tif
11_Total_Fe-mask.tif
12_Total_C-mask.tif
12_Total_Fe-mask.tif
14_Total_C-mask.tif
14_Total_Fe-mask.tif
16_Total_C-mask.tif
16_Total_Fe-mask.tif
18_Total_C-mask.tif
18_Total_Fe-mask.tif
20_Total_C-mask.tif
20_Total_Fe-mask.tif
20_Total_N-mask.tif
20_Total_O-mask.tif
21_Total_C-mask.tif
21_Total_Fe-mask.tif
21_Total_N-mask.tif
21_Total_O-mask.tif
22_Total_C-mask.tif
22_Total_Fe-mask.tif
22_Total_N-mask.tif
22_Total_O-mask.tif
25_Total_C-mask.tif
25_Total_Fe-mask.tif
25_Total_N-mask.tif
25_Total_O-mask.tif
26_Total_C-mask.tif
26_Total_Fe-mask.tif
26_Total_N-mask.tif
26_Total_O-mask.tif
27_Total_C-mask.tif
27_Total_Fe-mask.tif
27_Total_N-mask.tif
27_Total_O-mask.tif
28_Total_C-mask.tif
28_Total_Fe-mask.tif
28_Total_N-mask.tif
28_Total_O-mask.tif
29_Total_C-mask.tif
29_Total_Fe-mask.tif
29_Total_N-mask.tif
29_Total_O-mask.tif
Directory: Set 7d Mask  
Brief Description: Image area mask used for filtered images of adsorption and co-
precipitation WEOM-Fe samples. See ÒSet 11 EELS collection parametersÓ and detailed 
file information for sample ID key and further details.  

#Set 8 Processed EELS MCR maps
#Set 8a Filtered by mask TIF
8a.1-8a.42
07_C-K_MCR_Comp1_new-filtered.tif
07_C-K_MCR_Comp2_new-filtered.tif
07_C-K_Total_Bin2_042820-filtered.tif
07_Fe-L_MCR_Comp1_new-filtered.tif
07_Fe-L_MCR_Comp2_new-filtered.tif
07_Fe-L_Total_Bin2_042820-filtered.tif
08_C-K_MCR_Comp1_new-filtered.tif
08_C-K_MCR_Comp2_new-filtered.tif
08_C-K_Total_Bin2_042820-filtered.tif
08_Fe-L_MCR_Comp1_new-filtered.tif
08_Fe-L_MCR_Comp2_new-filtered.tif
08_Fe-L_Total_Bin2_042820-filtered.tif
11_C-K_MCR_Comp1_new-filtered.tif
11_C-K_MCR_Comp2_new-filtered.tif
11_C-K_Total_Bin2_042820-filtered.tif
11_Fe-L_MCR_Comp1_new-filtered.tif
11_Fe-L_MCR_Comp2_new-filtered.tif
11_Fe-L_Total_Bin2_042820-filtered.tif
12_C-K_MCR_Comp1_new-filtered.tif
12_C-K_MCR_Comp2_new-filtered.tif
12_C-K_Total_Bin2_042820-filtered.tif
12_Fe-L_MCR_Comp1_new-filtered.tif
12_Fe-L_MCR_Comp2_new-filtered.tif
12_Fe-L_Total_Bin2_042820-filtered.tif
14_C-K_MCR_Comp1_new-filtered.tif
14_C-K_MCR_Comp2_new-filtered.tif
14_C-K_Total_Bin2_042820-filtered.tif
14_Fe-L_MCR_Comp1_new-filtered.tif
14_Fe-L_MCR_Comp2_new-filtered.tif
14_Fe-L_Total_Bin2_042820-filtered.tif
16_C-K_MCR_Comp1_new-filtered.tif
16_C-K_MCR_Comp2_new-filtered.tif
16_C-K_Total_Bin2_042820-filtered.tif
16_Fe-L_MCR_Comp1_new-filtered.tif
16_Fe-L_MCR_Comp2_new-filtered.tif
16_Fe-L_Total_Bin2_042820-filtered.tif
18_C-K_MCR_Comp1_new-filtered.tif
18_C-K_MCR_Comp2_new-filtered.tif
18_C-K_Total_Bin2_042820-filtered.tif
18_Fe-L_MCR_Comp1_new-filtered.tif
18_Fe-L_MCR_Comp2_new-filtered.tif
18_Fe-L_Total_Bin2_042820-filtered.tif
Directory: Set 8a Filtered by mask TIF
Brief Description: Processed EELS carbon and iron MCR component maps with non-
sample area removed for adsorption and co-precipitation WEOM-Fe samples. See ÒSet 
11 EELS collection parametersÓ and detailed file information for sample ID key and 
further details.  

#Set 8b Original TIF 
8b.1-8b.42
Filenames: 
07_C-K_MCR_Comp1_new-TIF.tif
07_C-K_MCR_Comp2_new-TIF.tif
07_C-K_Total_Bin2_042820-TIF.tif
07_Fe-L_MCR_Comp1_new-TIF.tif
07_Fe-L_MCR_Comp2_new-TIF.tif
07_Fe-L_Total_Bin2_042820-TIF.tif
08_C-K_MCR_Comp1_new-TIF.tif
08_C-K_MCR_Comp2_new-TIF.tif
08_C-K_Total_Bin2_042820-TIF.tif
08_Fe-L_MCR_Comp1_new-TIF.tif
08_Fe-L_MCR_Comp2_new-TIF.tif
08_Fe-L_Total_Bin2_042820-TIF.tif
11_C-K_MCR_Comp1_new-TIF.tif
11_C-K_MCR_Comp2_new-TIF.tif
11_C-K_Total_Bin2_042820-TIF.tif
11_Fe-L_MCR_Comp1_new-TIF.tif
11_Fe-L_MCR_Comp2_new-TIF.tif
11_Fe-L_Total_Bin2_042820-TIF.tif
12_C-K_MCR_Comp1_new-TIF.tif
12_C-K_MCR_Comp2_new-TIF.tif
12_C-K_Total_Bin2_042820-TIF.tif
12_Fe-L_MCR_Comp1_new-TIF.tif
12_Fe-L_MCR_Comp2_new-TIF.tif
12_Fe-L_Total_Bin2_042820-TIF.tif
14_C-K_MCR_Comp1_new-TIF.tif
14_C-K_MCR_Comp2_new-TIF.tif
14_C-K_Total_Bin2_042820-TIF.tif
14_Fe-L_MCR_Comp1_new-TIF.tif
14_Fe-L_MCR_Comp2_new-TIF.tif
14_Fe-L_Total_Bin2_042820-TIF.tif
16_C-K_MCR_Comp1_new-TIF.tif
16_C-K_MCR_Comp2_new-TIF.tif
16_C-K_Total_Bin2_042820-TIF.tif
16_Fe-L_MCR_Comp1_new-TIF.tif
16_Fe-L_MCR_Comp2_new-TIF.tif
16_Fe-L_Total_Bin2_042820-TIF.tif
18_C-K_MCR_Comp1_new-TIF.tif
18_C-K_MCR_Comp2_new-TIF.tif
18_C-K_Total_Bin2_042820-TIF.tif
18_Fe-L_MCR_Comp1_new-TIF.tif
18_Fe-L_MCR_Comp2_new-TIF.tif
18_Fe-L_Total_Bin2_042820-TIF.tif

Directory: Set 8b Original TIF
Brief Description: EELS carbon and iron MCR component maps (before filtering) of 
adsorption and co-precipitation WEOM-Fe samples. See ÒSet 11 EELS collection 
parametersÓ and detailed file information for sample ID key and further details.  

#Set 9 Processed EELS component spectra 
9.1-9.14
Filenames: 
07_Sample C_200 eV shift_104x103 - C-KMCR_Spectra.txt
07_Sample C_650 eV shift_104x103 - Fe-LMCR_Spectra.txt
08_Sample C_200 eV shift_104x104 - C-KMCR_Spectra.txt
08_Sample C_650 eV shift_104x104 - Fe-LMCR_Spectra.txt
11_Sample C_200 eV shift_100x100 - C-KMCR_Spectra.txt
11_Sample C_650 eV shift_100x100 - Fe-LMCR_Spectra.txt
12_Sample C_200 eV shift_100x92 - C-KMCR_Spectra.txt
12_Sample C_650 eV shift_100x92 - Fe-LMCR_Spectra.txt
14_Sample A_200 eV shift_100x100 - C-KMCR_Spectra.txt
14_Sample A_650 eV shift_100x100 - Fe-LMCR_Spectra.txt
16_Sample A_200 eV shift_100x100 - C-KMCR_Spectra.txt
16_Sample A_650 eV shift_100x100 - Fe-LMCR_Spectra.txt
18_Sample C_200 eV shift_100x100 - C-KMCR_Spectra.txt
18_Sample C_650 eV shift_100x100 - Fe-LMCR_Spectra.txt
Directory: Set 9 Processed EELS component spectra
Brief Description: EELS carbon and iron MCR component spectra of adsorption and co-
precipitation WEOM-Fe samples. See ÒSet 11 EELS collection parametersÓ and detailed 
file information for sample ID key and further details.  
#
Set 10 MCR line profile
#
10.1 Filename: LineProfile_MCR_13_35.csv
Directory: Set 10 MCR line profile
Brief description: EELS line profile of changes in carbon and iron speciation across a 
co-precipitated WEOM-Fe image region. 
#
10.2 Filename: LineProfilePosition.pdf
Directory: Set 10 MCR line profile
Brief description: ADF image of line profile location in 10.1
#
Set 11 EELS collection parameters
#
11.1 Filename: EELS_parameters.csv
Directory: Set 11 EELS collection parameters
Brief description: Summary of collection parameters and sample ID key for EELS 
measurements. 

Relationship between files, if important for context:  

Additional related data collected that was not included in the current data 
package:  

If data was derived from another source, list source: 

If there are there multiple versions of the dataset, list the file updated, when and 
why update was made: 

--------------------------
METHODOLOGICAL INFORMATION
--------------------------

Description of methods used for collection/generation of data:  

Detailed experimental methods and characterization approaches are included in 
Possinger et al. (2021). In brief, the study evaluated compositional differences between 
water-extractable organic matter (WEOM) that was either adsorbed to or co-precipitated 
with iron (Fe) (ferrihydrite, nominally Fe2O3*0.5H2O). WEOM was extracted from 
organic (Oa) horizons from forested sites (defined as Site 1 and Site 2) in Hubbard 
Brook Experimental Forest (NH) as described in Possinger et al. (2020a) (locations 
described in Set 1 data). Adsorption experiments were conducted by addition of WEOM 
to solid ferrihydrite in suspension at a 10:1 C:Fe ratio, followed by 24-hr incubation 
reactions and purification of the adsorbed WEOM-Fe materials. Co-precipitation was 
conducted by co-precipitating WEOM with dissolved Fe(III) at a 10:1 C:Fe ratio by 
addition of base to approximately pH 7 (a modification of ferrihydrite preparation by 
Shwertmann and Cornell, 2000) (Possinger et al., 2020b). 

To assess spatial and bulk compositional properties of adsorbed and co-precipitated 
WEOM-Fe, we used high-resolution analytical electron microscopy paired with bulk 
spectroscopic approaches. Detailed microscopy and spectroscopy methods are 
described in Possinger et al. (2021). In brief, 2D scanning transmission electron 
microscopy with electron energy loss spectroscopy (STEM-EELS) maps were collected 
for adsorbed and co-precipitated WEOM-Fe drop-cast on copper TEM grids using a FEI 
Titan Themis S/TEM instrument with a Gatan GIF Quantum 965 spectrometer (operated 
at 120 kV). Maps collected at room temperature were used for elemental spatial 
distribution, while maps collected under cryogenic conditions were used for both 
elemental spatial distribution and assessment of carbon (C) and iron (Fe) speciation. 
Individual maps (defined in the Possinger et al. (2021) by lowercase letters and by 
number in the repository) were collected under conditions described in the repository 
file: /Set 11 EELS collection parameters/EELS_parameters.csv. 

Bulk C K-edge and Fe K-edge X-ray absorption spectroscopy (XAS) was conducted at 
the Canadian Light Source spherical grating monochromator (SGM) and Cornell High 
Energy Synchrotron Source F3 endstation, respectively. For the C K-edge, detailed 
information on the beamline and data collection procedures are in Possinger et al. 
(2020a). In brief, samples were drop-cast and air-dried on gold-coated silicon wafers, 
and C partial fluorescence yield (PFY) was measured using a silicon drift detector (50 x 
50 ?m incident beam size). For the Fe K-edge, detailed procedures are described in 
Possinger et al. (2020a) and Inagaki et al. (2020). Samples were drop-cast on 1-mil 
polyimide (Kapton¨) tape, and fluorescence yield was measured to optimize a high 
energy resolution of the XANES region (2-5 scans per sample). 

References 

Inagaki T. M, Possinger A. R., Grant K. E., Schweizer S. A., Mueller C. W., Derry L. A., 
Lehmann J. and Kšgel-Knabner I. (2020). Subsoil organo-mineral associations under 
contrasting climate conditions. Geochim. Cosmochim. Acta 270, 244-263.

Possinger, A. R., Zachman, M. J., Dynes, J. J., Regier, T. Z., Kourkoutis, L. F., and 
Lehmann J. (2021) Co-precipitation induces changes to iron and carbon chemistry and 
spatial distribution at the nanometer scale. Geochim. Cosmochim. Acta [in press] 
https://doi.org/10.1016/j.gca.2021.09.003. 

Possinger A. R., Bailey S. W., Inagaki T. M., Kšgel-Knabner I., Dynes J. J., Arthur Z. A. 
and Lehmann J. (2020a). Organo-mineral interactions and soil carbon mineralizability 
with variable saturation cycle frequency. Geoderma 375, 114883.

Possinger A. R., Zachman M. J., Enders A., Levin B. D. A., Muller D. A., Kourkoutis L. 
F. and Lehmann, J. (2020b). Organo-organic and organo-mineral interfaces in soil at 
the nanometer scale. Nat. Commun. 11, 6103. 

Schwertmann U. and Cornell R. M. (2000). Iron Oxides in the Laboratory: Preparation 
and Characterization, 2nd Edition. Wiley-VCG Verlag GmbH, Weinheim, DE. 

Methods for processing the data: 

EELS data: The .dm3 files (generated in Digital Micrograph) were imported into ImageJ 
(v.0.2.2) (Schneider et al., 2012) using the DM3 Reader tool included in the Cornell 
Spectrum Imager (CSI) package (Cueva et al., 2012). The CSI Spectrum Analyzer was 
used to generate a background-subtracted dataset for the image using 3.0-pixel full-
width half-maximum (FWHM) oversampling and the linear combination of power laws 
(LCPL) fit. 

Detailed methods for spatial analysis of EELS maps are included in Possinger et al. 
(2021). Briefly, spatial correlations among elements (Fe and C, and in some cases, N 
and O) were assessed using elemental EELS maps generated in the CSI Spectrum 
Analyzer tool. Pixel intensity correlations among elements were determined using 
Spearman Rank correlation using R in RStudio (R Core Team, 2019; RStudio Team, 
2015). Spatial statistics related to Fe distribution and clustering included computation of 
RipleyÕs K(t) and MoranÕs I statistics using R in RStudio. 

In addition, changes in C and Fe fine structure were evaluated statistically using 
multivariate curve resolution (MCR) (Mundy et al., 2014; Baek et al., 2016; Zachman et 
al., 2018) implemented using the pyMCR Python package (Camp, 2019). For MCR 
analysis, only images collected under cryogenic conditions, at >1.3 Mx magnification, 
and with sufficient sample area were used (in this repository, EELS measurements 07, 
08, 11, 12, 14, 16, and 18). In the highest resolution image, a line profile was collected 
to assess qualitative changes in Fe and C fine structure across the sample area. 

XAS data: Detailed spectrum processing and analysis procedures are described in 
Possinger et al. (2021). Briefly, spectra were normalized (edge step = 1) and flattened in 
Athena v. 0.9.26 (Ravel and Newville, 2005). Carbon K-edge X-ray absorption near-
edge structure (XANES) was assessed using a deconvolution approach to estimate 
contribution of carboxylic, aromatic, alkyl, and O-alkyl/carbonyl C, following Heymann et 
al. (2011) and Hestrin et al. (2019). The contribution of reduced Fe(II) to total Fe XANES 
was estimated using curve fitting approach described in Inagaki et al. (2020) and 
Possinger et al. (2020). Both C K-edge deconvolution and Fe(II) XANES models were 
implemented in Fityk v. 0.9.8 (Wojdyr, 2010) using the Levenberg-Marquardt algorithm. 
Iron extended X-ray absorption fine structure (EXAFS) K- and R-space spectra were 
also qualitatively assessed for the presence of organic-Fe interactions, following Chen 
et al. (2016). 

References

Baek D. J., Lu D., Hikika Y., Hwang H. Y. and Kourkoutis L. F. (2016). Ultrathin epitaxial 
barrier layer to avoid thermally induced phase transformation in oxide 
heterostructures. ACS Appl. Mater. Interfaces 9, 54-59. 
Camp, C. H. (2019). PyMCR: a Python library for multivariate curve resolution analysis 
with alternating regression (mcr-Ar). J. Res. Natl. Inst. Stan. 124, DOI: 
10.6028/jres.124.018.
Chen K., Chen T., Chan Y., Cheng C., Tzou Y., Liu Y. and Teah H. (2016). Stabilization 
of natural organic matter by short-range-order iron hydroxides. Environ. Sci. 
Technol. 50, 12612-12620. 
Cueva P., Hovden R., Mundy J. A., Xin H. L. and Muller D. A. (2012). Data 
processing for atomic resolution electron energy loss spectroscopy. Micros. 
Microanal. 18, 667-675.  
Hestrin R., Torres-Rojas D., Dynes J. J., Hook J. M., Regier T. Z., Gillespie A. W., 
Smernik R. J. and Lehmann, J. (2019). Fire-derived organic matter retains 
ammonia through covalent bond formation. Nat. Commun. 10, 664. 
Heymann K., Lehmann J., Solomon D., Schmidt M. W. I. and Regier T. (2011). C 1s K-
edge near edge X-ray absorption fine structure (NEXAFS) spectroscopy for 
characterizing functional group chemistry of black carbon. Org. Geochem. 42(9), 
1055-1064.
Inagaki T. M, Possinger A. R., Grant K. E., Schweizer S. A., Mueller C. W., Derry L. A., 
Lehmann J. and Kšgel-Knabner I. (2020). Subsoil organo-mineral associations 
under contrasting climate conditions. Geochim. Cosmochim. Acta 270, 244-263.
Mundy J. A., Hikita Y., Hidaka T., Yajima T., Higuchi T., Hwang H. Y., Muller D. A. and 
Kourkoutis L. F. (2014). Visualizing the interfacial evolution from charge 
compensation to metallic screening across the manganite metal-insulator 
transition. Nat. Commun. 5, 3464. 
Possinger, A. R., Zachman, M. J., Dynes, J. J., Regier, T. Z., Kourkoutis, L. F., and 
Lehmann J. (2021) Co-precipitation induces changes to iron and carbon 
chemistry and spatial distribution at the nanometer scale. Geochim. Cosmochim. 
Acta [in press] https://doi.org/10.1016/j.gca.2021.09.003. 
Possinger A. R., Bailey S. W., Inagaki T. M., Kšgel-Knabner I., Dynes J. J., Arthur Z. A. 
and Lehmann J. (2020). Organo-mineral interactions and soil carbon 
mineralizability with variable saturation cycle frequency. Geoderma 375, 114883.
Ravel B. and Newville M. (2005). Athena, Artemis, Hephaestus: data analysis for X-ray 
absorption spectroscopy using IFEFFIT. J. Synchrotron Rad. 12, 537-541. 
RStudio Team (2015). RStudio: Integrated Development for R. RStudio, Inc., Boston. 
URL http://www.rstudio.com/.
R Core Team (2019). R: A language and environment for statistical computing. R 
Foundation for Statistical Computing, Vienna, Austria. URL https://www.R-
project.org/.
Schneider C. A., Rasband W. S. and Eliceiri K. W. (2012). NIH Image to ImageJ: 25 
years of image analysis. Nature Methods 9(7), 671-675. 
Wojdyr M. (2010). Fityk: a general-purpose peak fitting program. J. Appl. Cryst. 43, 
1126-1128. 
Zachman M. J., Tu Z., Choudhury S., Archer L. A. and Kourkoutis L. F. (2018). Cryo-
STEM mapping of solid-liquid interfaces and dendrites in lithium-metal batteries. 
Nature 560, 345-349. 

Software- or Instrument-specific information needed to interpret the data, 
including software and hardware version numbers:  

ImageJ 
Version: 2.0.0-rc-65/1.51w

Cornell Spectrum Imager 
Version: 1.6 

Standards and calibration information, if appropriate: 

Environmental/experimental conditions: 

Describe any quality-assurance procedures performed on the data: 

People involved with sample collection, processing, analysis and/or submission:  
All authors, and in addition, John Grazul and Malcolm Thomas of the CCMR facility, 
Rong Huang of CHESS, and Kelly Hanley and Akio Enders of Cornell University. 

--------------------------
DATA-SPECIFIC INFORMATION <Create sections for each datafile or set, as 
appropriate>
--------------------------

#Set 1 Field sampling#
#
1.1. Filename: Field_Sampling_Locations_GCA.csv
Directory: Set 1 Field sampling
Brief description: Field site locations and site data
Number of variables: 5
Number of cases/rows: 6
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Site
Description: Site as described in the paper (1 or 2) 
Column 2: HPU
Description: Hydropedological unit (ÒtypicalÓ or ÒEÓ podzol) 
Column 3: Profile
Description: Replicate profile (a, b, or c)
Column 4: Latitude_N
Description: Latitude (decimal degrees north) 
Column 5: Longitude_W
Description: Longitude (decimal degrees west) 
Missing data codes: NA
Specialized formats or other abbreviations used: NA
#
#Set 2 Total organic carbon#######
#
2.1. Filename: TOC_04-18-20.csv
Directory: Set 2 Total organic carbon
Brief Description: Total organic carbon of adsorbed and co-precipitated WEOM-Fe
Number of variables: 4
Number of cases/rows: 16
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Treatment
Description: WEOM-Fe synthesis treatment, either adsorption or co-precipitation
Column 2: DOM
Description: Source of WEOM (called Òdissolved organic matterÓ, DOM in table), either 
Site 1 (Typical) or Site 2 (E) 
Column 3: Level
Description: Carbon:Fe ratio used for synthesis (10 = 10:1 C:Fe) 
Column 4: PercentC
Description: Percent total carbon 
Missing data codes: Missing data indicated by ÒNAÓ 
Specialized formats or other abbreviations used: NA
#
#Set 3 Iron XAS####################
#
3.1. Filename: Dec2017-DerivE.txt
Directory:  Set 3 Iron XAS
Brief Description: First derivative of iron X-ray absorption near-edge structure spectrum 
for samples analyzed in December 2017
Number of variables: 25
Number of cases/rows: 39
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Dec2017Energy
Description: X-ray absorption energy (eV) 
Column 2: Dec2017AdsFhData
Description: First derivative of normalized mu(E) (arbitrary units) for adsorption 
reference ferrihydrite (data)
Column 3: Dec2017AdsFhG1
Description: Gaussian fit 1 for derivative of normalized mu(E) (arbitrary units) for 
adsorption reference ferrihydrite
Column 4: Dec2017AdsFhG2
Description: Gaussian fit 2 for derivative of normalized mu(E) (arbitrary units) for 
adsorption reference ferrihydrite
Column 5: Dec2017AdsFhG3
Description: Gaussian fit 3 for derivative of normalized mu(E) (arbitrary units) for 
adsorption reference ferrihydrite
Column 6: Dec2017AdsFhG4
Description: Gaussian fit 4 for derivative of normalized mu(E) (arbitrary units) for 
adsorption reference ferrihydrite
Column 7: Dec2017AdsFhModel
Description: Model of derivative of normalized mu(E) (arbitrary units) for adsorption 
reference ferrihydrite
Column 8: Dec2017Ads10to1Data
Description: First derivative of normalized mu(E) (arbitrary units) for adsorbed WEOM-
Fe (data)
Column 9: Dec2017Ads10to1G1
Description: Gaussian fit 1 for derivative of normalized mu(E) (arbitrary units) for 
adsorbed WEOM-Fe
Column 10: Dec2017Ads10to1G2
Description: Gaussian fit 2 for derivative of normalized mu(E) (arbitrary units) for 
adsorbed WEOM-Fe
Column 11: Dec2017Ads10to1G3
Description: Gaussian fit 3 for derivative of normalized mu(E) (arbitrary units) for 
adsorbed WEOM-Fe
Column 12: Dec2017Ads10to1G4
Description: Gaussian fit 4 for derivative of normalized mu(E) (arbitrary units) for 
adsorbed WEOM-Fe
Column 13: Dec2017Ads10to1Model
Description: Model of derivative of normalized mu(E) (arbitrary units) for adsorbed 
WEOM-Fe
Column 14: Dec2017CoPFhData
Description: First derivative of normalized mu(E) (arbitrary units) for co-precipitate 
reference ferrihydrite (data)
Column 15: Dec2017CoPFhG1
Description: Gaussian fit 1 for derivative of normalized mu(E) (arbitrary units) for co-
precipitation reference ferrihydrite
Column 16: Dec2017CoPFhG2
Description: Gaussian fit 2 for derivative of normalized mu(E) (arbitrary units) for co-
precipitation reference ferrihydrite
Column 17: Dec2017CoPFhG3
Description: Gaussian fit 3 for derivative of normalized mu(E) (arbitrary units) for co-
precipitation reference ferrihydrite
Column 18: Dec2017CoPFhG4
Description: Gaussian fit 4 for derivative of normalized mu(E) (arbitrary units) for co-
precipitation reference ferrihydrite
Column 19: Dec2017CoPFhModel
Description: Model of derivative of normalized mu(E) (arbitrary units) for co-precipitation 
reference ferrihydrite
Column 20: Dec2017CoP10to1Data
Description: First derivative of normalized mu(E) (arbitrary units) for co-precipitated 
WEOM-Fe (data)
Column 21: Dec2017CoP10to1G1
Description: Gaussian fit 1 for derivative of normalized mu(E) (arbitrary units) for co-
precipitated WEOM-Fe
Column 22: Dec2017CoP10to1G2
Description: Gaussian fit 2 for derivative of normalized mu(E) (arbitrary units) for co-
precipitated WEOM-Fe
Column 23: Dec2017CoP10to1G3
Description: Gaussian fit 3 for derivative of normalized mu(E) (arbitrary units) for co-
precipitated WEOM-Fe
Column 24: Dec2017CoP10to1G4
Description: Gaussian fit 4 for derivative of normalized mu(E) (arbitrary units) for co-
precipitated WEOM-Fe
Column 25: Dec2017CoP10to1Model
Description: Model of derivative of normalized mu(E) (arbitrary units) for adsorbed 
WEOM-Fe
Missing data codes: NA
Specialized formats or other abbreviations used: Tab-delimited text file (can be imported 
into Excel as a tab-delimited file or into R using the sep=Ó\tÓ option in the read.table() 
function) 
#
3.2. Filename: May2017-DerivE.txt
Directory: Set 3 Iron XAS
Brief Description: First derivative of iron X-ray absorption near-edge structure spectrum 
for samples analyzed in May 2017
Number of variables: 25
Number of cases/rows: 159
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: May2017Energy
Description: X-ray absorption energy (eV) 
Column 2: May2017Ads10to1Data
Description: First derivative of normalized mu(E) (arbitrary units) for adsorbed WEOM-
Fe (data)
Column 3: May2017Ads10to1G1
Description: Gaussian fit 1 for derivative of normalized mu(E) (arbitrary units) for 
adsorbed WEOM-Fe
Column 4: May2017Ads10to1G2
Description: Gaussian fit 2 for derivative of normalized mu(E) (arbitrary units) for 
adsorbed WEOM-Fe
Column 5: May2017Ads10to1G3
Description: Gaussian fit 3 for derivative of normalized mu(E) (arbitrary units) for 
adsorbed WEOM-Fe
Column 6: May2017Ads10to1G4
Description: Gaussian fit 4 for derivative of normalized mu(E) (arbitrary units) for 
adsorbed WEOM-Fe
Column 7: May2017Ads10to1Model
Description: Model of derivative of normalized mu(E) (arbitrary units) for adsorbed 
WEOM-Fe
Column 8: May2017CoP10to1Data
Description: First derivative of normalized mu(E) (arbitrary units) for co-precipitated 
WEOM-Fe (data)
Column 9: May2017CoP10to1G1
Description: Gaussian fit 1 for derivative of normalized mu(E) (arbitrary units) for co-
precipitated WEOM-Fe
Column 10: May2017CoP10to1G2
Description: Gaussian fit 2 for derivative of normalized mu(E) (arbitrary units) for co-
precipitated WEOM-Fe
Column 11: May2017CoP10to1G3
Description: Gaussian fit 3 for derivative of normalized mu(E) (arbitrary units) for co-
precipitated WEOM-Fe
Column 12: May2017CoP10to1G4
Description: Gaussian fit 4 for derivative of normalized mu(E) (arbitrary units) for co-
precipitated WEOM-Fe
Column 13: May2017CoP10to1Model
Description: Model of derivative of normalized mu(E) (arbitrary units) for adsorbed 
WEOM-Fe
Column 14: May2017AdsFhData
Description: First derivative of normalized mu(E) (arbitrary units) for adsorption 
reference ferrihydrite (data)
Column 15: May2017AdsFhG1
Description: Gaussian fit 1 for derivative of normalized mu(E) (arbitrary units) for 
adsorption reference ferrihydrite
Column 16: May2017AdsFhG2
Description: Gaussian fit 2 for derivative of normalized mu(E) (arbitrary units) for 
adsorption reference ferrihydrite
Column 17: May2017AdsFhG3
Description: Gaussian fit 3 for derivative of normalized mu(E) (arbitrary units) for 
adsorption reference ferrihydrite
Column 18: May2017AdsFhG4
Description: Gaussian fit 4 for derivative of normalized mu(E) (arbitrary units) for 
adsorption reference ferrihydrite
Column 19: May2017AdsFhModel
Description: Model of derivative of normalized mu(E) (arbitrary units) for adsorption 
reference ferrihydrite
Column 20: May2017CoPFhData
Description: First derivative of normalized mu(E) (arbitrary units) for co-precipitate 
reference ferrihydrite (data)
Column 21: May2017CoPFhG1
Description: Gaussian fit 1 for derivative of normalized mu(E) (arbitrary units) for co-
precipitation reference ferrihydrite
Column 22: May2017CoPFhG2
Description: Gaussian fit 2 for derivative of normalized mu(E) (arbitrary units) for co-
precipitation reference ferrihydrite
Column 23: May2017CoPFhG3
Description: Gaussian fit 3 for derivative of normalized mu(E) (arbitrary units) for co-
precipitation reference ferrihydrite
Column 24: May2017CoPFhG4
Description: Gaussian fit 4 for derivative of normalized mu(E) (arbitrary units) for co-
precipitation reference ferrihydrite
Column 25: May2017CoPFhModel
Description: Model of derivative of normalized mu(E) (arbitrary units) for co-precipitation 
reference ferrihydrite
Missing data codes: NA
Specialized formats or other abbreviations used: Tab-delimited text file (can be imported 
into Excel as a tab-delimited file or into R using the sep=Ó\tÓ option in the read.table() 
function)
#
3.3. Filename: K2-standards.csv
Directory: Set 3 Iron XAS 
Brief Description: K2-weighted iron extended X-ray absorption fine structure spectra for 
standard compounds
Number of variables: 10
Number of cases/rows: 276
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: k
Description: Wavenumber, in Angstroms^-1 
Column 2: energy
Description: X-ray absorption energy (eV) 
Column 3: Fe3.sub.nontronite.Apr.18.merge
Description: K-space (k2-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of Fe(II)-substituted nontronite standard 
Column 4: Dec_2017_Fe_Porphyrin_full_merge
Description: K-space (k2-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of Fe-porphyrin standard 
Column 5: Dec_2017_FeIICitrate_full_merge
Description: K-space (k2-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of Fe (II)-citrate standard 
Column 6: Dec_2017_fayalite_fullmerge
Description: K-space (k2-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of fayalite standard 
Column 7: Dec2017_FeEDTA_full_merge
Description: K-space (k2-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of Fe-EDTA standard 
Column 8: FeIIICitrate_K_space_merge
Description: K-space (k2-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of Fe(III)-citrate standard 
Column 9: Goethite_K_space_merge
Description: K-space (k2-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of goethite standard 
Column 10: Nontronite_K_space_merge
Description: K-space (k2-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of nontronite standard 
Missing data codes: NA
Specialized formats or other abbreviations used: NA
#
3.4. Filename: K3-samples.txt
Directory: Set 3 Iron XAS
Brief Description: K3-weighted iron extended X-ray absorption fine structure spectra for 
adsorbed or co-precipitated WEOM-Fe samples 
Number of variables: 9
Number of cases/rows: 181
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Wavenumber
Description: Wavenumber, in Angstroms^-1 
Column 2: Dec2017Ads10to1
Description: K-space (k3-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of adsorbed WEOM-Fe (measured December 2017)
Column 3: Dec2017CoP10to1
Description: K-space (k3-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of co-precipitated WEOM-Fe (measured December 2017)
Column 4: May2017Ads10to1
Description: K-space (k3-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of adsorbed WEOM-Fe (measured May 2017)
Column 5: May2017CoP10to1
Description: K-space (k3-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of co-precipitated WEOM-Fe (measured May 2017)
Column 6: Dec2017CoPFhRef
Description: K-space (k3-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of co-precipitate reference ferrihydrite (measured December 2017)
Column 7: Dec2017AdsFhRef
Description: K-space (k3-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of adsorption reference ferrihydrite (measured December 2017)
Column 8: May2017AdsFhRef
Description: K-space (k3-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of adsorption reference ferrihydrite (measured May 2017)
Column 9: May2017CoPFhRef
Description: K-space (k3-weighted) iron K-edge extended X-ray absorption fine structure 
(EXAFS) of co-precipitation reference ferrihydrite (measured May 2017)
Missing data codes: Missing values labeled ÒNAÓ 
Specialized formats or other abbreviations used: Tab-delimited text file (can be imported 
into Excel as a tab-delimited file or into R using the sep=Ó\tÓ option in the read.table() 
function)
#
3.5 Filename: R-K3-samples.txt
Directory: Set 3 Iron XAS
Brief Description: R-space transformation of K3-weighted iron extended X-ray 
absorption fine structure spectra for adsorbed or co-precipitated WEOM-Fe samples 
Number of variables: 9
Number of cases/rows: 132
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Distance
Description: Radial distance (Angstroms) 
Column 2: Dec2017Ads10to1
Description: R-space transform of K3-weighted iron K-edge extended X-ray absorption 
fine structure (EXAFS) of adsorbed WEOM-Fe (measured December 2017)
Column 3: Dec2017CoP10to1
Description: R-space transform of K3-weighted iron K-edge extended X-ray absorption 
fine structure (EXAFS) of co-precipitated WEOM-Fe (measured December 2017)
Column 4: May2017Ads10to1
Description: R-space transform of K3-weighted iron K-edge extended X-ray absorption 
fine structure (EXAFS) of adsorbed WEOM-Fe (measured May 2017)
Column 5: May2017CoP10to1
Description: R-space transform of K3-weighted iron K-edge extended X-ray absorption 
fine structure (EXAFS) of co-precipitated WEOM-Fe (measured May 2017)
Column 6: Dec2017CoPFhRef
Description: R-space transform of K3-weighted iron K-edge extended X-ray absorption 
fine structure (EXAFS) of co-precipitate reference ferrihydrite (measured December 
2017)
Column 7: Dec2017AdsFhRef
Description: R-space transform of K3-weighted iron K-edge extended X-ray absorption 
fine structure (EXAFS) of adsorption reference ferrihydrite (measured December 2017)
Column 8: May2017AdsFhRef
Description: R-space transform of K3-weighted iron K-edge extended X-ray absorption 
fine structure (EXAFS) of adsorption reference ferrihydrite (measured May 2017)
Column 9: May2017CoPFhRef
Description: R-space transform of K3-weighted iron K-edge extended X-ray absorption 
fine structure (EXAFS) of co-precipitation reference ferrihydrite (measured May 2017)
Missing data codes: Missing values labeled (ÒNAÓ) 
Specialized formats or other abbreviations used: Tab-delimited text file (can be imported 
into Excel as a tab-delimited file or into R using the sep=Ó\tÓ option in the read.table() 
function)

#Set 4 Carbon XANES#
4.1. Filename: Coprecip-Ads-Deconvolution.txt
Directory: Set 4 Carbon XANES
Brief Description: Deconvolution results for carbon X-ray absorption near edge structure 
analysis
Number of variables: 3
Number of cases/rows: 24
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Treatment
Description: Preparation treatment of WEOM-Fe materials (factor, levels = DOM (source 
WEOM), Adsorbed, Co-precipitated) 
Column 2: Type
Description: Carbon form estimated by XANES deconvolution (factor, levels = Aromatic, 
Alkyl, Carboxylic, O-alkyl/carbonyl) 
Column 3: Percent 
Description: Estimated contribution of carbon type to XANES area (%)
Missing data codes: NA
Specialized formats or other abbreviations used: Tab-delimited text file (can be imported 
into Excel as a tab-delimited file or into R using the sep=Ó\tÓ option in the read.table() 
function)
#
4.2. Filename: NEXAFS-Spectra-Model.csv
Directory: Set 4 Carbon XANES
Brief Description: Adsorbed and co-precipitated WEOM-Fe sample and reference 
organic matter carbon XANES spectra  
Number of variables: 13
Number of cases/rows: 250
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Energy
Description: X-ray absorption energy (eV) 
Column 2: DOMU5Data
Description: Normalized (edge step = 1) carbon K-edge XANES spectra (a.u.) for 
source WEOM (Site 2) 
Column 3: DOMU5Model
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for source WEOM (Site 2)
Column 4: DOMU7Data
Description: Normalized (edge step = 1) carbon K-edge XANES spectra (a.u.) for 
source WEOM (Site 1)
Column 5: DOMU7Model
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for source WEOM (Site 1)
Column 6: AdsU5Data
Description: Normalized (edge step = 1) carbon K-edge XANES spectra (a.u.) for 
adsorbed WEOM-Fe (Site 2)
Column 7: AdsU5Model
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for adsorbed WEOM-Fe (Site 2)
Column 8: AdsU7Data
Description: Normalized (edge step = 1) carbon K-edge XANES spectra (a.u.) for 
adsorbed WEOM-Fe (Site 1)
Column 9: AdsU7Model
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for adsorbed WEOM-Fe (Site 1)
Column 10: CopU5Data
Description: Normalized (edge step = 1) carbon K-edge XANES spectra (a.u.) for co-
precipitated WEOM-Fe (Site 2)
Column 11: CopU5Model
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for co-precipitated WEOM-Fe (Site 2)
Column 12: CopU7Data
Description: Normalized (edge step = 1) carbon K-edge XANES spectra (a.u.) for co-
precipitated WEOM-Fe (Site 1)
Column 13: CopU7Model
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for co-precipitated WEOM-Fe (Site 2)
Missing data codes: NA
Specialized formats or other abbreviations used: NA
#
4.3. Filename: NEXAFS-deconvolution-functions.txt
Directory: Set 4 Carbon XANES
Brief Description: Adsorbed and co-precipitated WEOM-Fe sample and reference 
organic matter carbon XANES spectra and all Gaussian deconvolution functions
Number of variables: 61
Number of cases/rows: 250
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Energy 
Description: X-ray absorption energy (eV) 
Column 2: DOMU5atan
Description: Arctangent function for carbon XANES of source WEOM (Site 2) (a.u.) 
Columns 3-10: DOMU5G1-DOMU5G8
Description: Gaussian functions (G1-G8) for carbon XANES of source WEOM (Site 2) 
Column 11: DOMU5Model 
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for source WEOM (Site 2)
Column 12: DOMU7atan
Description: Arctangent function for carbon XANES of source WEOM (Site 1) (a.u.) 
Columns 13-20: DOMU7G1-DOMU7G8
Description: Gaussian functions (G1-G8) for carbon XANES of source WEOM (Site 1) 
Column 21: DOMU7Model 
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for source WEOM (Site 1)
Column 22: AdsU5atan
Description: Arctangent function for carbon XANES of adsorbed WEOM-Fe (Site 2) 
(a.u.) 
Columns 23-30: AdsU5G1-AdsU5G8
Description: Gaussian functions (G1-G8) for carbon XANES of adsorbed WEOM-Fe 
(Site 2) 
Column 31: AdsU5Model 
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for adsorbed WEOM-Fe (Site 2)
Column 32: AdsU7atan
Description: Arctangent function for carbon XANES of adsorbed WEOM-Fe (Site 1) 
(a.u.) 
Columns 33-40: AdsU7G1-AdsU7G8
Description: Gaussian functions (G1-G8) for carbon XANES of adsorbed WEOM-Fe 
(Site 1) 
Column 41: AdsU7Model 
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for adsorbed WEOM-Fe (Site 1)
Column 42: CopU5atan
Description: Arctangent function for carbon XANES of co-precipitated WEOM-Fe (Site 
2) (a.u.) 
Columns 43-50: CopU5G1-CopU5G8
Description: Gaussian functions (G1-G8) for carbon XANES of co-precipitated WEOM-
Fe (Site 2) 
Column 51: CopU5Model 
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for co-precipitated WEOM-Fe (Site 2)
Column 52: CopU7atan
Description: Arctangent function for carbon XANES of co-precipitated WEOM-Fe (Site 
1) (a.u.) 
Columns 53-60: CopU7G1-CopU7G8
Description: Gaussian functions (G1-G8) for carbon XANES of co-precipitated WEOM-
Fe (Site 1) 
Column 61: CopU7Model 
Description: Deconvolution model of normalized (edge step = 1) carbon K-edge XANES 
spectra (a.u.) for co-precipitated WEOM-Fe (Site 1)
Missing data codes: NA
Specialized formats or other abbreviations used: Tab-delimited text file (can be imported 
into Excel as a tab-delimited file or into R using the sep=Ó\tÓ option in the read.table() 
function)
#
4.4-4.12 Filenames: AFhU5.csv, AFhU7.csv, CitricAcid.csv, DOMU5.csv, DOMU7.csv, 
FhU5.csv, FhU7.csv, SA.csv, Suc.csv
Directory: Set 4 Carbon XANES
Brief Description: Carbon XANES spectra of adsorbed or co-precipitated WEOM-Fe 
samples and source WEOM. File names correspond to treatments as follows: AFh = 
adsorbed WEOM-Fe, Fh = co-precipitated WEOM-Fe, U5 = Site 2 WEOM, U7 = Site 1 
WEOM, DOM = source WEOM, SA = salicylic acid, Suc = sucrose. 
Number of variables: 2
Number of cases/rows: 497
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Energy.corr
Description: X-ray absorption energy (eV) 
Column 2: Norm
Description: Fluorescence intensity (counts)  
Missing data codes: NA
Specialized formats or other abbreviations used: NA
#
Set 5 Room temperature EELS###
#
5.1-5.24
Filenames: 
20_Sample C_ADF_100x100.dm3
20_Sample C_CL_100x100.dm3
20_Sample C_LL_100x100.dm3
21_Sample C_ADF_100x100.dm3
21_Sample C_CL_100x100.dm3
21_Sample C_LL_100x100.dm3
22_Sample C_ADF_100x100.dm3
22_Sample C_CL_100x100.dm3
22_Sample C_LL_100x100.dm3
25_Sample A_ADF_100x100.dm3
25_Sample A_CL_100x100.dm3
25_Sample A_LL_100x100.dm3
26_Sample A_ADF_100x100.dm3
26_Sample A_CL_100x100.dm3
26_Sample A_LL_100x100.dm3
27_Sample A_ADF_100x100.dm3
27_Sample A_CL_100x100.dm3
27_Sample A_LL_100x100.dm3
28_Sample A_ADF_50x50.dm3
28_Sample A_CL_50x50.dm3
28_Sample A_LL_50x50.dm3
29_Sample A_ADF_50x50.dm3
29_Sample A_CL_50x50.dm3
29_Sample A_LL_50x50.dm3
Directory: Set 5 Room-temperature EELS
Brief Description: Room-temperature EELS core-loss and low-loss spectrum images 
and associated ADF images for adsorption and co-precipitation WEOM-Fe samples. 
See ÒSet 11 EELS collection parametersÓ and detailed file information for sample ID key 
and further details.  
Number of variables: NA
Number of cases/rows: NA
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: EELS map collected using DM3 
(Digital Micrograph) software. See analysis section for information on utilizing this file in 
ImageJ and the Cornell Spectrum Imager software. Sample information is included in 
the file name by the format: 
SampleNumber_SampleTreatment_MapType_Dimensions.dm3. SampleNumber 
corresponds to individual measurements (see ÒSet 11 EELS collection parametersÓ for 
detailed sample key). SampleTreatment ÒSample AÓ or ÒSample CÓ) refers to Adsorption 
or Co-precipitation treatment, respectively. MapType is the type of EELS data collected, 
either core-loss (CL), low-loss (LL), or a corresponding annular dark field (ADF) image. 
Dimensions are image pixels (width x height). 
#
5.24-5.40
Filenames: 
Metadata_20_Sample C_CL_100x100.txt
Metadata_20_Sample C_LL_100x100.txt
Metadata_21_Sample C_CL_100x100.txt
Metadata_21_Sample C_LL_100x100.txt
Metadata_22_Sample C_CL_100x100.txt
Metadata_22_Sample C_LL_100x100.txt
Metadata_25_Sample A_CL_100x100.txt
Metadata_25_Sample A_LL_100x100.txt
Metadata_26_Sample A_CL_100x100.txt
Metadata_26_Sample A_LL_100x100.txt
Metadata_27_Sample A_CL_100x100.txt
Metadata_27_Sample A_LL_100x100.txt
Metadata_28_Sample A_CL_50x50.txt
Metadata_28_Sample A_LL_50x50.txt
Metadata_29_Sample A_CL_50x50.txt
Metadata_29_Sample A_LL_50x50.txt
Directory: Set 5 Room-temperature EELS
Brief Description: Metadata for room-temperature EELS core-loss and low-loss 
spectrum images and associated ADF images for adsorption and co-precipitation 
WEOM-Fe samples. See ÒSet 11 EELS collection parametersÓ and detailed file 
information for sample ID key and further details.  
Number of variables: NA
Number of cases/rows: NA
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: Text files containing metadata for files 
5.1-5.23.
#
#Set 6 CryoEELS########
#
6.1-6.23
Filenames:
07_Sample C_200 eV shift_104x103.dm3
07_Sample C_650 eV shift_104x103.dm3
07_Sample C_ADF_104x103.dm3
08_Sample C_200 eV shift_104x104.dm3
08_Sample C_650 eV shift_104x104.dm3
08_Sample C_ADF_104x104.dm3
11_Sample C_200 eV shift_100x100.dm3
11_Sample C_650 eV shift_100x100.dm3
11_Sample C_ADF_100x100.dm3
12_Sample C_200 eV shift_100x92.dm3
12_Sample C_650 eV shift_100x92.dm3
12_Sample C_ADF_100x92.dm3
14_Sample A_200 eV shift_100x100.dm3
14_Sample A_650 eV shift_100x100.dm3
14_Sample A_ADF_100x100.dm3
16_Sample A_200 eV shift_100x100_Dark.dm3
16_Sample A_200 eV shift_100x100.dm3
16_Sample A_650 eV shift_100x100_Dark.dm3
16_Sample A_650 eV shift_100x100.dm3
16_Sample A_ADF_100x100.dm3
18_Sample C_200 eV shift_100x100.dm3
18_Sample C_650 eV shift_100x100.dm3
18_Sample C_ADF_100x100.dm3
Directory: Set 6 CryoEELS
Brief Description: Cryogenic EELS core-loss and low-loss spectrum images and 
associated ADF images for adsorption and co-precipitation WEOM-Fe samples. See 
ÒSet 11 EELS collection parametersÓ and detailed file information for sample ID key and 
further details.  
Number of variables: NA
Number of cases/rows: NA
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: EELS map collected using DM3 
(Digital Micrograph) software. See analysis section for information on utilizing this file in 
ImageJ and the Cornell Spectrum Imager software. Sample information is included in 
the file name by the format: 
SampleNumber_SampleTreatment_MapType_Dimensions.dm3. SampleNumber 
corresponds to individual measurements (see ÒSet 11 EELS collection parametersÓ for 
detailed sample key). SampleTreatment (ÒSample AÓ or ÒSample CÓ) refers to 
Adsorption or Co-precipitation treatment, respectively. MapType is the type of EELS 
data collected, either core-loss at 200 eV (200 eV shift), core-loss at 650 eV (600 eV 
shift), or a corresponding annular dark field (ADF) image. Dimensions are image pixels 
(width x height). Measurement 16 includes dark reference spectrum measurements 
(16_Sample A_200 eV shift_100x100_Dark.dm3 and 16_Sample A_650 eV 
shift_100x100_Dark.dm3) which must be subtracted from the core-loss measurements 
during processing. 
#
#Set 7 
#
#Set 7 Processed EELS elemental maps
#Set 7a ADF TIF
7a.1-7a.15
Filenames: 
07_ADF_104x103-TIF.tif
08_ADF_104x104-TIF.tif
11_ADF_100x100-TIF.tif
12_ADF_100x92-TIF.tif
14_ADF_100x100-TIF.tif
16_ADF_100x100-TIF.tif
18_ADF_100x100-TIF.tif
20_ADF_100x100-TIF.tif
21_ADF_100x100-TIF.tif
22_ADF_100x100-TIF.tif
25_ADF_100x100-TIF.tif
26_ADF_100x100-TIF.tif
27_ADF_100x100-TIF.tif
28_ADF_50x50-TIF.tif
29_ADF_50x50-TIF.tif
Directory: Set 7a ADF TIF
Brief Description: Processed ADF images for adsorption and co-precipitation WEOM-Fe 
samples. See ÒSet 11 EELS collection parametersÓ and detailed file information for 
sample ID key and further details.  
Number of variables: Variable (see specialized formats below) 
Number of cases/rows: Variable (see specialized formats below) 
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: TIF RGB image. Sample information is 
included in the file name by the format: SampleNumber_MapType_Dimensions-TIF.tif. 
SampleNumber corresponds to individual measurements (see ÒSet 11 EELS collection 
parametersÓ for detailed sample key). MapType is the type of EELS data collected, in 
this case an annular dark field (ADF) image. Dimensions are image pixels (width x 
height). Scale bars (upper left corner)  = 10 nm.  

#Set 7b Binary images
7b.1-7b.15
Filenames: 
07_Total_Fe-filtered-cropped-binary.tif
08_Total_Fe-filtered-cropped-binary.tif
11_Total_Fe-filtered-cropped-binary.tif
12_Total_Fe-filtered-cropped-binary.tif
14_Total_Fe-filtered-cropped-binary.tif
16_Total_Fe-filtered-cropped-binary.tif
18_Total_Fe-filtered-cropped-binary.tif
20_Total_Fe-filtered-cropped-binary.tif
21_Total_Fe-filtered-cropped-binary.tif
22_Total_Fe-filtered-cropped-binary.tif
25_Total_Fe-filtered-cropped-binary.tif
26_Total_Fe-filtered-cropped-binary.tif
27_Total_Fe-filtered-cropped-binary.tif
28_Total_Fe-filtered-cropped-binary.tif
29_Total_Fe-filtered-cropped-binary.tif
Directory: Set 7b Binary images 
Brief Description: Processed binary images for adsorption and co-precipitation WEOM-
Fe samples. See ÒSet 11 EELS collection parametersÓ and detailed file information for 
sample ID key and further details.  
Number of variables: Variable (see specialized formats below)
Number of cases/rows: Variable (see specialized formats below)
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: TIF image (RGB). Sample information 
is included in the file name by the format: SampleNumber_Total_Fe-filtered-cropped-
binary.tif. SampleNumber corresponds to individual measurements (see ÒSet 11 EELS 
collection parametersÓ for detailed sample key).
#
#Set 7c Filtered
7c.1-7c.46
Filenames: 
07_Total_C-filtered.tif
07_Total_Fe-filtered.tif
08_Total_C-filtered.tif
08_Total_Fe-filtered.tif
11_Total_C-filtered.tif
11_Total_Fe-filtered.tif
12_Total_C-filtered.tif
12_Total_Fe-filtered.tif
14_Total_C-filtered.tif
14_Total_Fe-filtered.tif
16_Total_C-filtered.tif
16_Total_Fe-filtered.tif
18_Total_C-filtered.tif
18_Total_Fe-filtered.tif
20_Total_C-filtered.tif
20_Total_Fe-filtered.tif
20_Total_N-filtered.tif
20_Total_O-filtered.tif
21_Total_C-filtered.tif
21_Total_Fe-filtered.tif
21_Total_N-filtered.tif
21_Total_O-filtered.tif
22_Total_C-filtered.tif
22_Total_Fe-filtered.tif
22_Total_N-filtered.tif
22_Total_O-filtered.tif
25_Total_C-filtered.tif
25_Total_Fe-filtered.tif
25_Total_N-filtered.tif
25_Total_O-filtered.tif
26_Total_C-filtered.tif
26_Total_Fe-filtered.tif
26_Total_N-filtered.tif
26_Total_O-filtered.tif
27_Total_C-filtered.tif
27_Total_Fe-filtered.tif
27_Total_N-filtered.tif
27_Total_O-filtered.tif
28_Total_C-filtered.tif
28_Total_Fe-filtered.tif
28_Total_N-filtered.tif
28_Total_O-filtered.tif
29_Total_C-filtered.tif
29_Total_Fe-filtered.tif
29_Total_N-filtered.tif
29_Total_O-filtered.tif
Directory: Set 7c Filtered 
Brief Description: Processed elemental map images with non-sample area removed for 
adsorption and co-precipitation WEOM-Fe samples. See ÒSet 11 EELS collection 
parametersÓ and detailed file information for sample ID key and further details.  
Number of variables: Variable (see specialized formats below)
Number of cases/rows: Variable (see specialized formats below)
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: TIF image (RGB). Sample information 
is included in the file name by the format: SampleNumber_Total_Element-filtered.tif. 
ÒSampleNumberÓ corresponds to individual measurements (see ÒSet 11 EELS collection 
parametersÓ for detailed sample key). ÒElementÓ refers to element used for map, either 
nitrogen (N), carbon (C), oxygen (O), or iron (Fe). 
#
#Set 7d Mask 
7d.1-7d.46
Filenames: 
07_Total_C-mask.tif
07_Total_Fe-mask.tif
08_Total_C-mask.tif
08_Total_Fe-mask.tif
11_Total_C-mask.tif
11_Total_Fe-mask.tif
12_Total_C-mask.tif
12_Total_Fe-mask.tif
14_Total_C-mask.tif
14_Total_Fe-mask.tif
16_Total_C-mask.tif
16_Total_Fe-mask.tif
18_Total_C-mask.tif
18_Total_Fe-mask.tif
20_Total_C-mask.tif
20_Total_Fe-mask.tif
20_Total_N-mask.tif
20_Total_O-mask.tif
21_Total_C-mask.tif
21_Total_Fe-mask.tif
21_Total_N-mask.tif
21_Total_O-mask.tif
22_Total_C-mask.tif
22_Total_Fe-mask.tif
22_Total_N-mask.tif
22_Total_O-mask.tif
25_Total_C-mask.tif
25_Total_Fe-mask.tif
25_Total_N-mask.tif
25_Total_O-mask.tif
26_Total_C-mask.tif
26_Total_Fe-mask.tif
26_Total_N-mask.tif
26_Total_O-mask.tif
27_Total_C-mask.tif
27_Total_Fe-mask.tif
27_Total_N-mask.tif
27_Total_O-mask.tif
28_Total_C-mask.tif
28_Total_Fe-mask.tif
28_Total_N-mask.tif
28_Total_O-mask.tif
29_Total_C-mask.tif
29_Total_Fe-mask.tif
29_Total_N-mask.tif
29_Total_O-mask.tif
Directory: Set 7d Mask  
Brief Description: Image area mask used for filtered images of adsorption and co-
precipitation WEOM-Fe samples. See ÒSet 11 EELS collection parametersÓ and detailed 
file information for sample ID key and further details.  
Number of variables: Variable (see specialized formats below)
Number of cases/rows: Variable (see specialized formats below) 
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: TIF image (RGB). Sample information 
is included in the file name by the format: SampleNumber_Total_Element-mask.tif. 
ÒSampleNumberÓ corresponds to individual measurements (see ÒSet 11 EELS collection 
parametersÓ for detailed sample key). ÒElementÓ refers to element used for map, either 
nitrogen (N), carbon (C), oxygen (O), or iron (Fe). 
#
#Set 8 Processed EELS MCR maps########
#Set 8a Filtered by mask TIF
8a.1-8a.42
07_C-K_MCR_Comp1_new-filtered.tif
07_C-K_MCR_Comp2_new-filtered.tif
07_C-K_Total_Bin2_042820-filtered.tif
07_Fe-L_MCR_Comp1_new-filtered.tif
07_Fe-L_MCR_Comp2_new-filtered.tif
07_Fe-L_Total_Bin2_042820-filtered.tif
08_C-K_MCR_Comp1_new-filtered.tif
08_C-K_MCR_Comp2_new-filtered.tif
08_C-K_Total_Bin2_042820-filtered.tif
08_Fe-L_MCR_Comp1_new-filtered.tif
08_Fe-L_MCR_Comp2_new-filtered.tif
08_Fe-L_Total_Bin2_042820-filtered.tif
11_C-K_MCR_Comp1_new-filtered.tif
11_C-K_MCR_Comp2_new-filtered.tif
11_C-K_Total_Bin2_042820-filtered.tif
11_Fe-L_MCR_Comp1_new-filtered.tif
11_Fe-L_MCR_Comp2_new-filtered.tif
11_Fe-L_Total_Bin2_042820-filtered.tif
12_C-K_MCR_Comp1_new-filtered.tif
12_C-K_MCR_Comp2_new-filtered.tif
12_C-K_Total_Bin2_042820-filtered.tif
12_Fe-L_MCR_Comp1_new-filtered.tif
12_Fe-L_MCR_Comp2_new-filtered.tif
12_Fe-L_Total_Bin2_042820-filtered.tif
14_C-K_MCR_Comp1_new-filtered.tif
14_C-K_MCR_Comp2_new-filtered.tif
14_C-K_Total_Bin2_042820-filtered.tif
14_Fe-L_MCR_Comp1_new-filtered.tif
14_Fe-L_MCR_Comp2_new-filtered.tif
14_Fe-L_Total_Bin2_042820-filtered.tif
16_C-K_MCR_Comp1_new-filtered.tif
16_C-K_MCR_Comp2_new-filtered.tif
16_C-K_Total_Bin2_042820-filtered.tif
16_Fe-L_MCR_Comp1_new-filtered.tif
16_Fe-L_MCR_Comp2_new-filtered.tif
16_Fe-L_Total_Bin2_042820-filtered.tif
18_C-K_MCR_Comp1_new-filtered.tif
18_C-K_MCR_Comp2_new-filtered.tif
18_C-K_Total_Bin2_042820-filtered.tif
18_Fe-L_MCR_Comp1_new-filtered.tif
18_Fe-L_MCR_Comp2_new-filtered.tif
18_Fe-L_Total_Bin2_042820-filtered.tif
Directory: Set 8a Filtered by mask TIF
Brief Description: Processed EELS carbon and iron MCR component maps with non-
sample area removed for adsorption and co-precipitation WEOM-Fe samples. See ÒSet 
11 EELS collection parametersÓ and detailed file information for sample ID key and 
further details.  
Number of variables: Variable (see specialized formats below)
Number of cases/rows: Variable (see specialized formats below)
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: TIF image (RGB). Sample information 
is included in the file name by the format: 
SampleNumber_Edge_MapInfoA_MapInfoB_MapInfoC-filtered.tif. ÒSampleNumberÓ 
corresponds to individual measurements (see ÒSet 11 EELS collection parametersÓ for 
detailed sample key). ÒEdgeÓ refers to element used for map, either carbon K-edge (C-
K) or iron L-edge (Fe-L). ÒMapInfoAÓ refers to the type of map analyzed, either Total or 
MCR component. ÒMapInfoBÓ provides information about the analyzed data, either a 
MCR component (Comp1 or Comp2) or a binned value (Bin2). ÒMapInfoCÓ is an internal 
note related to MCR analysis time. 
#
#Set 8b Original TIF 
8b.1-8b.42
Filenames: 
07_C-K_MCR_Comp1_new-TIF.tif
07_C-K_MCR_Comp2_new-TIF.tif
07_C-K_Total_Bin2_042820-TIF.tif
07_Fe-L_MCR_Comp1_new-TIF.tif
07_Fe-L_MCR_Comp2_new-TIF.tif
07_Fe-L_Total_Bin2_042820-TIF.tif
08_C-K_MCR_Comp1_new-TIF.tif
08_C-K_MCR_Comp2_new-TIF.tif
08_C-K_Total_Bin2_042820-TIF.tif
08_Fe-L_MCR_Comp1_new-TIF.tif
08_Fe-L_MCR_Comp2_new-TIF.tif
08_Fe-L_Total_Bin2_042820-TIF.tif
11_C-K_MCR_Comp1_new-TIF.tif
11_C-K_MCR_Comp2_new-TIF.tif
11_C-K_Total_Bin2_042820-TIF.tif
11_Fe-L_MCR_Comp1_new-TIF.tif
11_Fe-L_MCR_Comp2_new-TIF.tif
11_Fe-L_Total_Bin2_042820-TIF.tif
12_C-K_MCR_Comp1_new-TIF.tif
12_C-K_MCR_Comp2_new-TIF.tif
12_C-K_Total_Bin2_042820-TIF.tif
12_Fe-L_MCR_Comp1_new-TIF.tif
12_Fe-L_MCR_Comp2_new-TIF.tif
12_Fe-L_Total_Bin2_042820-TIF.tif
14_C-K_MCR_Comp1_new-TIF.tif
14_C-K_MCR_Comp2_new-TIF.tif
14_C-K_Total_Bin2_042820-TIF.tif
14_Fe-L_MCR_Comp1_new-TIF.tif
14_Fe-L_MCR_Comp2_new-TIF.tif
14_Fe-L_Total_Bin2_042820-TIF.tif
16_C-K_MCR_Comp1_new-TIF.tif
16_C-K_MCR_Comp2_new-TIF.tif
16_C-K_Total_Bin2_042820-TIF.tif
16_Fe-L_MCR_Comp1_new-TIF.tif
16_Fe-L_MCR_Comp2_new-TIF.tif
16_Fe-L_Total_Bin2_042820-TIF.tif
18_C-K_MCR_Comp1_new-TIF.tif
18_C-K_MCR_Comp2_new-TIF.tif
18_C-K_Total_Bin2_042820-TIF.tif
18_Fe-L_MCR_Comp1_new-TIF.tif
18_Fe-L_MCR_Comp2_new-TIF.tif
18_Fe-L_Total_Bin2_042820-TIF.tif
Directory: Set 8b Original TIF
Brief Description: EELS carbon and iron MCR component maps (before filtering) of 
adsorption and co-precipitation WEOM-Fe samples. See ÒSet 11 EELS collection 
parametersÓ and detailed file information for sample ID key and further details.  
Number of variables: Variable (see specialized formats below)
Number of cases/rows: Variable (see specialized formats below)
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: TIF image (RGB). Sample information 
is included in the file name by the format: 
SampleNumber_Edge_MapInfoA_MapInfoB_MapInfoC-TIF.tif. ÒSampleNumberÓ 
corresponds to individual measurements (see ÒSet 11 EELS collection parametersÓ for 
detailed sample key). ÒEdgeÓ refers to element used for map, either carbon K-edge (C-
K) or iron L-edge (Fe-L). ÒMapInfoAÓ refers to the type of map analyzed, either Total or 
MCR component. ÒMapInfoBÓ provides information about the analyzed data, either a 
MCR component (Comp1 or Comp2) or a binned value (Bin2). ÒMapInfoCÓ is an internal 
note related to MCR analysis time. 

#Set 9 Processed EELS component spectra########
9.1-9.14
Filenames: 
07_Sample C_200 eV shift_104x103 - C-KMCR_Spectra.txt
07_Sample C_650 eV shift_104x103 - Fe-LMCR_Spectra.txt
08_Sample C_200 eV shift_104x104 - C-KMCR_Spectra.txt
08_Sample C_650 eV shift_104x104 - Fe-LMCR_Spectra.txt
11_Sample C_200 eV shift_100x100 - C-KMCR_Spectra.txt
11_Sample C_650 eV shift_100x100 - Fe-LMCR_Spectra.txt
12_Sample C_200 eV shift_100x92 - C-KMCR_Spectra.txt
12_Sample C_650 eV shift_100x92 - Fe-LMCR_Spectra.txt
14_Sample A_200 eV shift_100x100 - C-KMCR_Spectra.txt
14_Sample A_650 eV shift_100x100 - Fe-LMCR_Spectra.txt
16_Sample A_200 eV shift_100x100 - C-KMCR_Spectra.txt
16_Sample A_650 eV shift_100x100 - Fe-LMCR_Spectra.txt
18_Sample C_200 eV shift_100x100 - C-KMCR_Spectra.txt
18_Sample C_650 eV shift_100x100 - Fe-LMCR_Spectra.txt
Directory: Set 9 Processed EELS component spectra
Brief Description: EELS carbon and iron MCR component spectra of adsorption and co-
precipitation WEOM-Fe samples. See ÒSet 11 EELS collection parametersÓ and detailed 
file information for sample ID key and further details.  
Number of variables: 3
Number of cases/rows: 131 (carbon) or 251 (iron)  
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: V1
Description: Electron energy loss (eV) 
Column 2: V2
Description: Component 1 spectrum (intensity, counts) 
Column 3: V3 
Description: Component 2 spectrum (intensity, counts) 
Missing data codes: NA
Specialized formats or other abbreviations used: Space-delimited text file (.txt) (can be 
imported into Excel as a space-delimited file or into R using the sep=Ó Ó option in the 
read.table() function). Sample information is included in the file name by the format: 
SampleNumber_SampleTreatment_MapType_Dimensions Ð EdgeMCR_Spectra.txt. 
SampleNumber corresponds to individual measurements (see ÒSet 11 EELS collection 
parametersÓ for detailed sample key). SampleTreatment (ÒSample AÓ or ÒSample CÓ) 
refers to Adsorption or Co-precipitation treatment, respectively. MapType is the type of 
EELS data collected, either core-loss at 200 eV (200 eV shift), core-loss at 650 eV (600 
eV shift). Dimensions are image pixels (width x height). Edge is the element core-loss 
edge (C-K or Fe-L). 
#
Set 10 MCR line profile
#
10.1 Filename: LineProfile_MCR_13_35.csv
Directory: Set 10 MCR line profile
Brief description: EELS line profile of changes in carbon and iron speciation across a 
co-precipitated WEOM-Fe image region. 
Number of variables: 5
Number of cases/rows: 51
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: Pixel
Description: Position on line profile (pixel number)
Column 2: OxidizedFe
Description: Intensity of higher-energy iron component across line profile (counts)
Column 3: ReducedC
Description: Intensity of lower-energy carbon component across line profile (counts)
Column 4: OxidizedC
Description: Intensity of higher-energy carbon component across line profile (counts)
Column 5: ReducedFe
Description: Intensity of lower-enregy carbon component across line profile (counts)
Missing data codes: NA
Specialized formats or other abbreviations used: NA
#
10.2 Filename: LineProfilePosition.pdf
Directory: Set 10 MCR line profile
Brief description: ADF image of line profile location in 10.1
Number of variables: NA
Number of cases/rows: NA
Variable list, defining any abbreviations, units of measure, codes or symbols used: 
Column 1: NA
Description: NA
Missing data codes: NA
Specialized formats or other abbreviations used: PDF image of line profile location. 

#
Set 11 EELS collection parameters
#
11.1 Filename: EELS_parameters.csv
Directory: Set 11 EELS collection parameters
Brief description: Summary of collection parameters and sample ID key for EELS 
measurements. 
Number of variables: 10
Number of cases/rows: 15
Column 1: Measurement_published
Description: Measurement ID as published in Possinger et al. (2021)
Column 2: Measurement_repository
Description: Measurement number corresponding to measurement ID as included in this 
repository
Column 3: EELS_data_type
Description: Type of EELS data collected (map for all measurements) 
Column 4: WEOM_source	
Description: Initial WEOM source, either Site 1 or Site 2
Column 5: Treatment
Description: WEOM-Fe material preparation treatment, either adsorbed or co-
precipitated
Column 6: Instrument_conditions	
Description: EELS instrument conditions, either cryogenic (cryo) or room temperature 
(not cryo) 
Column 7: Magnification.Mx
Description: Magnification, in Mx
Column 8: EELS_aquisition_time.s
Description: EELS acquisition time, in seconds
Column 9: Current.nA
Description: Measurement current, in nA
Column 10: Dose.eA2
Description: Calculated dose, in electrons per square Angstrom
Missing data codes: NA
Specialized formats or other abbreviations used: NA