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Using the DataONE API on the command line

DataONE Data Package Upload Example

This is an example of how to upload content into a repository that implements the DataONE Tier 3 MNStorage API. We focus on a simple yet complete data package example that involves two CSV data files, one EML metadata file, and one OAI-ORE resource map file. This example is based on content in the following published dataset, but has some changes to simplify the example:

Nathan Thorp. 2017. Toolik fertilization experiment 2015 pluck Gas chromatography–mass spectrometry (GCMS) soil measurements. Arctic Data Center. doi:10.18739/A20Q25.

Files in the package:

File Type Associated System Metadata File
classes.csv Data classes.sysmeta.xml
compounds.csv Data compounds.sysmeta.xml
metadata.xml EML Metadata metadata.sysmeta.xml
resourcemap.rdf OAI-ORE Package resourcemap.sysmeta.xml

Note that while this example uses a shell script to make the HTTP REST calls, this would typically be done programmatically using a software library or application. There are libraries written in Java, Python, R, Matlab, and BASH that implement the DataONE API. The MetacatUI web application also implements this API.

We first choose a test Member Node (MN) repository to upload the files. In this example, we will use an NCEAS development server at https://dev.nceas.ucsb.edu. Create a script called upload.sh and make it executable, and add the repository URL as a variable:

#!/bin/bash
mn_url="https://dev.nceas.ucsb.edu/knb/d1/mn";
  1. At the repository page, use the Sign in with ORCID button to log in. You will be redirected to https://orcid.org, where you enter your username and password. Once finished, you will be redirected back to the repository server.
  2. Once logged in, choose the My Profile menu item under your account name in the top menu bar. Choose the Settings tab, and in the settings, choose the Authentication Token list item.
  3. Use the Copy button to copy your token string to the clipboard.

Paste this token into the top of your upload.sh script. It expires in 18 hours.

#!/bin/bash
mn_url="https://dev.nceas.ucsb.edu/knb/d1/mn";

# token="eyJhbGciOiJSUzI1NiJ9.eyJleHAiOjE1MDYyMDc2MjMsInN1Yi ...";
token="<your-token-string-goes-here>";

The token is used later in curl commands sent to the repository. See below.

The base URL for all programmatic DataONE Member Node API calls for this repository is:

https://dev.nceas.ucsb.edu/knb/d1/mn

Each versioned API endpoint is added to the base URL path. We are most concerned with the MNStorage.create() API call in this example, which is an HTTP POST call to /v2/object:

https://dev.nceas.ucsb.edu/knb/d1/mn/v2/object

The /v2 indicates we are communicating with the repository using version 2 of the DataONE API.

This POST call to /v2/object takes four parameters:

  1. session (in the form of the Authentication token as an HTTP Header)
  2. pid (the identifier of the object being uploaded)
  3. sysmeta (the system metadata XML document describing the object)
  4. object (the bytes of the object being uploaded)

This means that to upload our four files, we need to create an associated system metadata file for each. The contents of each file are shown below.

The structure of system metadata XML files follows the DataONE Types schema. We use version 2 of the SystemMetadata Type, which extends version 1.

<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<d1v2:systemMetadata
    xmlns:d1v1="http://ns.dataone.org/service/types/v1"
    xmlns:d1v2="http://ns.dataone.org/service/types/v2.0">
    <!-- fields go here -->
</d1v2:systemMetadata>

Example system metadata documents are provided below.

The identifier is required, and must be a unique, no whitespace string less than 800 characters. This would typically be a UUID or DOI. Use uuidgen on the command line to create a unique identifier. We use simple identifiers in this example for readability.

The formatId is required, and must come from one of the defined formats in the DataONE Object Formats Registry. Use application/octet-stream if your file type is not in the list, and work with DataONE to expand the list.

The size is required, and must be the exact size of the object in bytes. Use ls -lb <filename> on the command line to get the size in bytes.

The checksum is required, as well as the checksum algorithm. Use shasum -a 1 <filename> to calculate the SHA1 checksum of the file.

The submitter and rightsHolder fields are required, and will typically be the ORCID identifier of the person submitting the content.

The accessPolicy is optional, but is used here to demonstrate how to provide anonymous read access using the public symbolic subject. Without an access policy, the default policy is read, write, and changePermission permissions for only the rightsHolder.

The fileName is optional, but helps tremendously in web-based and other displays of the objects.

Now that the system metadata documents are assembled, we can upload the data files via the script. Use the curl command to POST the data objects and their system metadata to the repository object service REST endpoint. Add the authentication token as an HTTP Authorization header. The DataONE API transfers content using MIME multipart/form-data as the encoding scheme, which is supported in curl using the -F flag with the @ symbol to define files on disk as parameter values:

#!/bin/bash
mn_url="https://dev.nceas.ucsb.edu/knb/d1/mn";

# token="eyJhbGciOiJSUzI1NiJ9.eyJleHAiOjE1MDYyMDc2MjMsInN1Yi ...";
token="<your-token-string-goes-here>";
auth_header="Authorization: Bearer ${token}";

object_endpoint="/v2/object";

# Upload classes.csv
curl -X POST \
    -H "${auth_header}" \
    -F "pid=test.1.1" \
    -F "sysmeta=@classes.csv.sysmeta.xml" \
    -F "object=@classes.csv" \
    "${mn_url}${object_endpoint}"

# Upload compounds.csv
curl -X POST \
    -H "${auth_header}" \
    -F "pid=test.2.1" \
    -F "sysmeta=@compounds.csv.sysmeta.xml" \
    -F "object=@compounds.csv" \
    "${mn_url}${object_endpoint}"

Each successful upload of an object will result in the identifier of the new object being returned and an HTTP 200.

Going into detail about the content of the various science metadata standards is beyond the scope of this example. However, DataONE supports multiple community-based, national, and international metadata specifications. In this example, the data files are documented using the Ecological Metadata Language (EML). EML provides elements to describe all of the top-level discovery aspects of the data (who, what, when, where, why), as well as detailed entity and attribute level metadata so that measurements are described fully with definitions, units, etc.

Unsurprisingly, uploading the metadata is the same as uploading the data:

# Upload the science metadata
curl -X POST \
    -H "${auth_header}" \
    -F "pid=test.3.1"\
    -F "sysmeta=@metadata.sysmeta.xml"\
    -F "object=@metadata.xml"\
    "${mn_url}${object_endpoint}"

OAI-ORE resource maps provide a means of packaging objects together into a collection, as well as a way to express virtually any other piece of information about objects because they are constructed as RDF statements. This example uses a plain RDF/XML file since that encoding is the only RDF encoding currently supported by DataONE.

In the below resourcemap.rdf file, each resource being described has an associated dcterms:identifier attribute, and its location is always expressed as a DataONE Coordinating Node resolve URI. By convention, the Aggregation's identifier is the same as the resource map's identifier, but with a #aggregation suffix. This is not required.

The Aggregation is the main concept that is expressed. It defines the collection of data and metadata files using the ore:aggregates predicate. This aggregation is in turn described by a ResourceMap instance in the file, which also provides the modification date and the creator of the resource map.

Each member of the Aggregation is subsequently listed in the file, including the science metadata file and the two data files. The relationships between the science metadata and data are expressed using the cito:documents and cito:isDocumentedBy predicates. These statement bind the metadata and data together in the package.

In more advanced usage, resource maps can aggregate other resource maps to create nested package structures.

Likewise, uploading the resource map is the same as the other files:

# Upload the resource map
curl -X POST \
    -H "${auth_header}" \
    -F "pid=test.4.1"\
    -F "sysmeta=@resourcemap.sysmeta.xml"\
    -F "object=@resourcemap.rdf"\
    "${mn_url}${object_endpoint}"

The entire script is as follows:

#!/bin/bash
mn_url="https://dev.nceas.ucsb.edu/knb/d1/mn";

# token="eyJhbGciOiJSUzI1NiJ9.eyJleHAiOjE1MDYyMDc2MjMsInN1Yi ...";
token="<your-token-string-goes-here>";
auth_header="Authorization: Bearer ${token}";

object_endpoint="/v2/object";

# Upload classes.csv
curl -X POST \
    -H "${auth_header}" \
    -F "pid=test.1.1" \
    -F "sysmeta=@classes.csv.sysmeta.xml" \
    -F "object=@classes.csv" \
    "${mn_url}${object_endpoint}"

# Upload compounds.csv
curl -X POST \
    -H "${auth_header}" \
    -F "pid=test.2.1" \
    -F "sysmeta=@compounds.csv.sysmeta.xml" \
    -F "object=@compounds.csv" \
    "${mn_url}${object_endpoint}"

# Upload the science metadata
curl -X POST \
    -H "${auth_header}" \
    -F "pid=test.3.1"\
    -F "sysmeta=@metadata.sysmeta.xml"\
    -F "object=@metadata.xml"\
    "${mn_url}${object_endpoint}"

# Upload the resource map
curl -X POST \
    -H "${auth_header}" \
    -F "pid=adc.20.1"\
    -F "sysmeta=@resourcemap.sysmeta.xml"\
    -F "object=@resourcemap.rdf"\
    "${mn_url}${object_endpoint}"

It defines the repository to upload objects to, an authentication token for the operation, and the service REST endpoint. Using curl, it uploads the four files along with their pre-defined system metadata documents. On success, each new identifier is returned.

SampleID ShortName Aromatic Lignin Lipid Polysaccharide N_Bearing Protein Phenol Unkown_Origin treatment horizon block
41438 B1-CT-O 6.51 19.08 11.63 32.91 12.03 1.16 0.05 16.64 CT 1-Org 1
41439 B1-NP-O 7.69 18.12 14.67 24.10 11.39 6.98 0.41 16.64 NP 1-Org 1
41446 B2-CT-O 4.61 13.32 2.19 53.59 16.67 0.56 0.09 8.97 CT 1-Org 2
41462 B2-NP-O 3.71 39.25 19.03 7.90 0.61 0.74 0.00 28.76 NP 1-Org 2
41447 B2-NP-O(1) 10.60 24.33 6.80 22.73 9.18 2.04 0.00 24.32 NP 1-Org 2
41451 B3-CT-O 12.15 23.12 15.77 27.79 1.65 0.10 0.00 19.43 CT 1-Org 3
41452 B3-NP-O 13.97 23.99 9.09 15.49 8.92 2.86 0.34 25.35 NP 1-Org 3
41456 B4-NP-O 15.46 31.29 20.12 19.30 0.61 0.82 0.00 12.39 NP 1-Org 4
41457 B1-CT-LO 9.17 28.65 24.01 19.10 3.12 0.88 0.00 15.06 CT 2-Org 1
41442 B1-NP-LO 5.36 6.92 13.18 51.21 6.89 4.41 0.45 11.58 NP 2-Org 1
41458 B1-NP-LO(rerun) 7.62 10.00 36.48 20.05 9.39 2.39 0.00 14.06 NP 2-Org 1
41444 B2-CT-LO 3.43 8.47 14.27 51.20 12.45 1.18 0.00 8.99 CT 2-Org 2
41445 B2-NP-LO(1) 5.63 17.05 5.21 45.77 12.14 0.60 0.33 13.28 NP 2-Org 2
41461 B2-NP-LO(2) 12.06 33.72 16.74 18.56 3.86 0.21 0.00 14.84 NP 2-Org 2
41450 B3-CT-LO 11.41 13.63 20.14 26.86 4.51 2.30 0.00 21.15 CT 2-Org 3
41433 B3-NP2-LO 11.38 9.06 18.25 28.72 9.06 2.47 1.96 19.10 NP 2-Org 3
41434 B3-NP3-LO 8.15 15.29 13.48 33.18 9.54 6.09 0.00 14.28 NP 2-Org 3
41440 B3-NP-LO 9.20 14.76 15.57 31.28 12.49 2.45 0.00 14.25 NP 2-Org 3
41455 B4--CT-LO 11.84 28.41 13.87 29.10 1.79 0.37 0.00 14.61 CT 2-Org 4
41435 B4-NP1-LO 7.42 14.82 7.86 38.17 12.52 2.78 0.00 16.44 NP 2-Org 4
41441 N4-NP-LO 8.96 12.04 19.03 37.38 4.97 2.05 0.00 15.57 NP 2-Org 4
41436 B1-CT-M(1) 6.26 2.78 42.99 18.31 5.92 5.52 0.00 18.22 CT Mineral 1
41460 B1-CT-M(2) 7.26 4.36 46.21 20.66 1.31 2.78 0.00 17.42 CT Mineral 1
41437 B1-NP-M 8.30 2.20 34.82 20.69 7.74 5.39 0.45 20.42 NP Mineral 1
41459 B2-CT-M 4.96 5.36 19.75 52.47 6.81 1.78 0.00 8.87 CT Mineral 2
41443 B2-NP-M 5.98 2.89 37.13 36.39 3.72 2.29 0.00 11.60 NP Mineral 2
41448 B3-CT-M 7.26 6.54 16.30 49.31 7.21 2.75 0.00 10.64 CT Mineral 3
41449 B3-NP-M 12.50 4.53 36.97 19.00 5.37 3.32 1.47 16.84 NP Mineral 3
41453 B4-CT-M 8.85 4.52 39.88 20.79 7.87 2.19 1.01 14.88 CT Mineral 4
41454 B4-NP-M 8.38 3.47 36.60 25.88 4.83 3.76 1.56 15.52 NP Mineral 4
<?xml version="1.0" encoding="UTF-8" standalone="yes"?>
<d1v2:systemMetadata
xmlns:d1v1="http://ns.dataone.org/service/types/v1"
xmlns:d1v2="http://ns.dataone.org/service/types/v2.0">
<identifier>test.1.1</identifier>
<formatId>text/csv</formatId>
<size>3047</size>
<checksum algorithm="SHA1">c46e888755d55e7f195fae4289cb0907081ac9e1</checksum>
<submitter>http://orcid.org/0000-0002-8121-2341</submitter>
<rightsHolder>http://orcid.org/0000-0002-8121-2341</rightsHolder>
<accessPolicy>
<allow>
<subject>public</subject>
<permission>read</permission>
</allow>
</accessPolicy>
<replicationPolicy replicationAllowed="true" numberReplicas="3"/>
<fileName>classes.csv</fileName>
</d1v2:systemMetadata>
Compound Type Source B1_CT_LO B1_CT_M_1 B1_CT_M_2 B1_CT_O B1_NP_LO B1_NP_LO_rerun B1_NP_M B1_NP_O B2_CT_LO B2_CT_M B2_CT_O B2_NP_LO_1 B2_NP_LO_2 B2_NP_M B2_NP_O B2_NP_O_1 B3_CT_LO B3_CT_M B3_CT_O B3_NP2_LO B3_NP3_LO B3_NP_LO B3_NP_M B3_NP_O B4_CT_LO B4_CT_M B4_NP1_LO B4_NP_M B4_NP_O B4_NP_LO
2H-1-Benzopyran-2-one Aromatic Aromatic 0.000 0.000 0.000 0.000 0.000 0.000 0.026 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.032 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Acetophenone Aromatic Aromatic 0.071 0.283 0.273 0.119 0.000 0.291 0.180 0.000 0.124 0.593 0.074 0.063 0.141 0.540 0.093 0.085 0.316 0.477 0.223 0.000 0.382 0.038 0.263 0.223 0.090 0.227 0.346 0.097 0.115 0.201
Anthracene Aromatic Aromatic 0.000 0.000 0.000 0.000 0.034 0.000 0.006 0.000 0.046 0.000 0.000 0.000 0.021 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.226 0.000 0.000 0.000 0.000 0.055 0.000 0.000
Benzaldehyde Aromatic Aromatic 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.032 0.088 0.000 0.000 0.000 0.000
Benzene Aromatic Aromatic 0.325 0.000 0.000 0.179 0.187 0.000 0.000 0.668 0.000 0.000 0.145 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.945 0.579 0.045 0.315 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.151
Benzene Aromatic Aromatic 1.465 0.122 0.089 0.789 0.674 0.591 1.147 0.179 0.450 0.000 0.000 0.439 0.197 0.647 0.296 0.740 0.135 0.907 1.202 0.755 1.549 0.530 0.385 0.696 0.241 0.533 0.962 1.067 0.154 0.597
Benzene, (1,3-dimethylbutyl)- Aromatic Aromatic 0.015 0.073 0.137 0.000 0.050 0.163 0.036 0.000 0.000 0.000 0.000 0.000 0.027 0.000 0.022 0.000 0.078 0.058 0.000 0.000 0.000 0.000 0.086 0.000 0.029 0.000 0.000 0.058 0.000 0.110
Benzene, (1-methylethyl)- Aromatic Aromatic 0.000 0.023 0.000 0.000 0.000 0.000 0.236 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.045 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Benzene, 1,2,3,4-tetramethyl- Aromatic Aromatic 0.000 0.000 0.098 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.030 0.000 0.000 0.000 0.299 0.000 0.000 0.000 0.000 0.000 0.930 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Benzene, 1,2,3-trimethyl- Aromatic Aromatic 0.090 0.646 0.496 0.140 0.361 0.352 0.591 0.205 0.232 0.503 0.111 0.146 0.250 0.491 0.113 0.230 0.752 0.588 0.356 0.172 0.301 0.179 1.145 0.694 0.129 0.592 0.453 0.495 0.156 0.247
Benzene, 1,2-diethyl- Aromatic Aromatic 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.052 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Benzene, 1,3-bis(1,1-dimethylethyl)- Aromatic Aromatic 0.000 0.000 0.096 0.000 0.000 0.000 0.000 0.000 0.000 0.088 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.046 0.000 0.000 0.000 0.000 0.109 0.000 0.000
Benzene, 1-ethenyl-3-methyl- Aromatic Aromatic 0.000 0.000 0.000 0.014 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.110 0.000 0.000 0.075 0.000 0.000 0.000 0.000 0.000 0.000
Benzene, 2-propenyl- Aromatic Aromatic 0.000 0.000 0.121 0.000 0.034 0.103 0.000 0.000 0.000 0.000 0.020 0.035 0.070 0.070 0.024 0.076 0.405 0.000 0.120 0.132 0.194 0.047 0.168 0.255 0.037 0.082 0.051 0.081 0.000 0.297
Benzene, butyl- Aromatic Aromatic 0.000 0.000 0.000 0.000 0.000 0.823 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.333 0.000 0.000 0.000 0.000 0.000 0.102 0.000 0.104 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Benzene, hexyl- Aromatic Aromatic 0.103 0.152 0.209 0.000 0.116 0.042 0.146 0.100 0.082 0.147 0.044 0.007 0.031 0.147 0.099 0.069 0.156 0.102 0.281 0.000 0.000 0.070 0.184 0.148 0.051 0.191 0.000 0.152 0.064 0.102
Benzene, propyl- Aromatic Aromatic 0.131 0.529 0.502 0.165 0.131 0.303 0.320 0.000 0.154 0.228 0.117 0.124 0.115 0.381 0.076 0.112 0.599 0.249 0.425 0.332 0.295 0.179 0.799 0.543 0.454 0.604 0.000 0.580 0.151 0.282
Benzofuran Aromatic Aromatic 0.060 0.000 0.236 0.128 0.112 0.205 0.565 0.112 0.132 0.297 0.103 0.105 0.022 0.000 0.048 0.100 0.202 0.000 0.305 0.256 0.000 0.101 0.682 0.091 0.098 0.265 0.000 0.330 0.075 0.141
Biphenyl Aromatic Aromatic 0.027 0.049 0.000 0.023 0.000 0.112 0.063 0.030 0.149 0.000 0.000 0.000 0.029 0.077 0.000 0.074 0.118 0.029 0.000 0.388 0.034 0.040 0.160 0.042 0.026 0.017 0.000 0.092 0.000 0.065
Fluorene Aromatic Aromatic 0.000 0.337 0.177 0.000 0.000 0.060 0.176 0.000 0.043 0.160 0.000 0.008 0.000 0.068 0.000 0.000 0.295 0.096 0.000 0.396 0.354 0.000 0.332 0.000 0.000 0.462 0.073 0.222 0.000 0.356
m-xylene Aromatic Aromatic 0.616 0.973 0.922 0.657 0.375 0.480 1.189 1.171 0.620 0.947 0.542 0.475 0.537 0.572 0.329 0.820 1.462 0.606 1.414 1.088 1.159 0.730 2.068 1.806 0.849 1.571 0.793 1.300 1.440 0.746
Naphthalene Aromatic Aromatic 0.000 0.329 0.457 0.000 0.155 0.248 0.425 0.193 0.237 0.351 0.000 0.144 0.000 0.312 0.080 0.000 0.297 0.373 0.181 0.493 0.344 0.591 0.693 0.000 0.000 0.339 0.176 0.360 0.000 0.000
Naphthalene, 1,2-dihydro-4-methyl- Aromatic Aromatic 0.558 0.337 0.524 0.155 0.309 0.035 0.262 0.205 0.031 0.000 0.146 0.065 0.121 0.184 0.192 0.120 0.417 0.264 0.547 0.289 0.370 0.100 0.836 0.064 0.158 0.118 0.224 0.317 0.000 0.274
Oxirane, ethenyl- Aromatic Aromatic 0.830 0.174 0.000 1.987 0.296 0.000 0.206 0.000 0.863 0.000 1.458 0.000 0.388 0.000 0.000 0.975 2.488 0.000 1.121 1.733 0.000 2.845 0.000 0.000 0.000 0.000 0.000 0.218 0.475 0.886
Phenol, 3,4-dimethyl- Aromatic Aromatic 0.600 0.746 0.352 1.065 0.640 0.000 1.165 1.317 0.264 0.000 0.194 0.888 0.543 0.666 0.251 1.102 0.613 0.982 3.110 1.701 1.114 0.963 1.426 1.809 0.343 0.963 1.333 0.957 0.640 0.688
Phenol, 3-methyl- Aromatic Aromatic 4.283 1.485 2.574 1.084 1.884 3.812 1.560 3.513 0.000 1.643 1.659 3.126 9.537 1.820 1.759 6.091 2.731 2.524 1.917 3.069 1.794 2.442 1.926 7.523 9.300 2.798 3.013 1.887 12.195 3.818
2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)- (Guaiacylacetone) Aromatic Lignin 0.000 0.000 0.000 0.625 0.490 0.000 0.000 0.429 0.000 0.000 0.564 0.078 0.000 0.000 0.000 0.198 0.574 0.039 0.359 0.000 0.056 0.253 0.000 0.225 0.107 0.000 0.318 0.000 0.000 0.000
Benzaldehyde, 4-hydroxy-3-methoxy- (Vanillin) Aromatic Lignin 0.000 0.000 0.000 0.221 0.268 0.000 0.000 0.000 0.105 0.000 0.223 0.060 0.000 0.000 0.000 0.000 0.000 0.345 0.000 0.665 0.336 0.149 0.000 0.000 0.037 0.274 0.784 0.000 0.000 0.271
Benzoic acid, 4-hydroxy-3-methoxy-Vanillic acid) Aromatic Lignin 0.000 0.020 0.000 0.900 0.072 0.294 0.000 0.920 0.196 0.000 0.464 0.449 0.000 0.000 0.000 0.744 0.508 0.000 1.035 0.141 0.151 1.360 0.000 1.579 0.365 0.000 0.688 0.000 0.000 0.300
Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- (Acetosyringone) Aromatic Lignin 0.000 0.000 0.000 0.164 0.190 0.000 0.000 0.246 0.000 0.000 0.103 0.164 0.074 0.000 0.000 0.221 0.000 0.182 0.283 0.204 0.400 0.250 0.000 0.000 0.038 0.000 0.000 0.000 0.000 0.344
Ethylphenol Aromatic Lignin 0.076 0.082 0.000 0.547 0.007 0.047 0.100 0.108 0.092 0.000 0.045 0.067 0.011 0.010 0.000 0.056 0.570 0.000 0.000 0.572 0.066 0.090 0.000 0.363 0.183 0.217 0.121 0.031 0.131 0.029
Phenol, 2,6-dimethoxy- (Syringol) Aromatic Lignin 0.325 0.000 0.000 0.646 0.000 0.547 0.000 1.042 0.000 0.000 0.466 1.179 0.364 0.000 0.000 1.165 0.000 0.000 1.241 0.684 1.052 0.259 0.000 1.550 0.000 0.000 0.806 0.000 0.432 0.370
Phenol, 2,6-dimethoxy-4-(2-propenyl)- (Methoxyeugenol) Aromatic Lignin 4.263 0.000 0.000 2.798 0.313 0.255 0.000 0.937 0.303 0.000 1.401 0.663 1.685 0.000 1.065 0.510 0.184 0.178 2.254 0.332 0.612 2.110 0.000 1.014 1.394 0.497 0.739 0.000 2.632 1.565
Phenol, 2-methoxy- (Guaiacol) Aromatic Lignin 0.000 0.000 0.000 0.295 0.043 0.081 0.000 0.100 0.108 0.000 0.049 0.090 0.000 0.000 0.000 0.059 0.307 0.000 0.000 0.144 0.000 0.128 0.253 0.084 0.000 0.000 0.000 0.000 0.028 0.000
Phenol, 2-methoxy-4-(1-propenyl)- (4-Isoeugenol) Aromatic Lignin 0.000 0.000 0.000 0.000 0.396 0.000 0.000 0.000 0.000 0.184 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.191 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Phenol, 2-methoxy-4-(1Z)-1-propen-1-yl- (cis-Isoeugenol) Aromatic Lignin 0.023 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.129 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.035 0.000
Phenol, 2-methoxy-4-(2-propenyl)- (4-Eugenol) Aromatic Lignin 0.072 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.817 0.150 0.763 0.000 0.000 0.000 0.000 0.000 0.000 0.978 0.272
Phenol, 2-methoxy-4-methyl- (4-Methylguaiacol) Aromatic Lignin 5.091 0.071 0.000 3.188 0.294 1.341 0.119 3.464 1.181 0.000 1.968 2.289 5.560 0.136 19.161 5.577 2.407 0.233 3.558 1.135 2.387 1.938 0.207 5.316 5.048 0.154 2.180 0.168 6.889 1.431
Phenol, 2-methoxy-4-propyl- (4-Guaiacylpropane) Aromatic Lignin 0.000 0.000 0.000 0.191 0.015 0.000 0.000 0.349 0.042 0.000 0.128 0.136 0.000 0.000 0.712 0.295 0.000 0.000 0.000 0.178 0.275 0.141 0.000 0.446 0.093 0.000 0.261 0.000 0.104 0.000
Phenol, 2-Methoxy-4-vinyl- (Vinylguaiacol) Aromatic Lignin 16.102 1.463 3.217 6.723 4.395 5.819 1.365 6.880 5.350 4.519 6.777 10.668 23.431 2.492 12.418 12.050 6.149 5.091 9.209 3.005 7.967 5.633 2.739 7.590 18.599 2.668 6.197 2.725 17.073 6.616
Phenol, 4-ethyl-2,6-dimethoxy- (Ethylsyringol) Aromatic Lignin 0.576 0.000 0.000 0.488 0.000 0.106 0.000 0.244 0.018 0.000 0.036 0.107 0.054 0.000 0.000 0.209 0.475 0.027 1.038 0.000 0.000 0.383 0.000 0.944 0.016 0.000 0.363 0.000 0.089 0.000
Phenol, 4-ethyl-2-methoxy- (Ethylguaiacol) Aromatic Lignin 1.275 0.736 0.996 1.447 0.293 1.274 0.589 2.091 0.509 0.538 0.965 0.907 2.199 0.255 5.839 2.646 2.326 0.402 2.574 0.868 1.106 1.051 1.041 4.009 2.503 0.202 1.613 0.432 2.589 0.732
Benzene, 1-ethenyl-4-methoxy- Aromatic Lignin+TMAH 0.116 0.405 0.147 0.000 0.000 0.032 0.029 0.317 0.000 0.119 0.000 0.000 0.068 0.000 0.000 0.080 0.000 0.000 0.296 0.108 0.186 0.000 0.193 0.385 0.018 0.458 0.142 0.073 0.000 0.110
Benzene, 1-methoxy-4-methyl- Aromatic Lignin+TMAH 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.051 0.000 0.000 0.000 0.000 0.000 0.000 0.057 0.054 0.000 0.000 0.022 0.000 0.118 0.000 0.100 0.091 0.000 0.000 0.000 0.038 0.024 0.000
Benzene, 4-ethenyl-1,2-dimethoxy- Aromatic Lignin+TMAH 0.000 0.000 0.000 0.828 0.069 0.156 0.000 0.937 0.320 0.000 0.128 0.179 0.145 0.000 0.000 0.463 0.133 0.000 1.238 0.000 0.234 0.248 0.000 0.396 0.000 0.000 0.603 0.000 0.000 0.000
Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester (Vanillic Acid, methyl est Aromatic Lignin+TMAH 0.000 0.000 0.000 0.017 0.080 0.045 0.000 0.000 0.000 0.000 0.000 0.014 0.000 0.000 0.000 0.000 0.000 0.038 0.008 0.202 0.000 0.000 0.000 0.000 0.009 0.000 0.000 0.000 0.068 0.000
Ethanone, 1-(3,4-dimethoxyphenyl)- Aromatic Lignin+TMAH 0.729 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.249 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.048 0.000 0.000 0.223 0.000
Hepta-2,4-dienoic acid, methyl ester FAME Lipid 0.000 0.000 0.000 0.000 0.138 0.000 0.000 0.000 0.136 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.316 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
1,3-Butadiene Aliphatic Lipid 0.055 0.220 0.000 0.978 0.389 0.000 0.000 0.000 0.806 0.546 0.621 0.475 0.048 0.313 0.000 0.086 0.508 0.000 0.443 1.301 0.108 0.479 0.274 0.088 0.132 0.939 0.406 0.000 0.000 0.868
1,3-Octadiene Aliphatic Lipid 0.046 0.187 0.000 0.068 0.000 0.000 0.220 0.000 0.010 0.347 0.000 0.000 0.000 0.000 0.000 0.000 0.060 0.000 0.194 0.115 0.224 0.000 0.410 0.000 0.134 0.251 0.000 0.000 0.000 0.000
1-Butyne, 3,3-dimethyl- Aliphatic Lipid 0.033 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.057 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
1-Heptene Aliphatic Lipid 0.089 0.168 0.000 1.787 0.465 0.107 0.264 0.132 0.000 0.000 0.366 0.183 0.000 0.000 0.000 0.432 0.000 0.000 0.000 0.065 0.000 0.000 0.160 0.035 0.329 0.126 0.000 0.000 0.000 0.323
1-Hexadecene Aliphatic Lipid 0.000 0.000 0.000 0.000 0.599 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.934 0.000 0.000 0.000 0.000
1-Hexene, 3-methyl- Aliphatic Lipid 0.238 0.160 0.692 0.136 0.000 0.343 1.674 0.190 0.149 0.861 0.181 0.134 0.041 1.332 0.055 0.100 0.724 0.631 0.344 0.000 0.293 0.293 0.283 0.000 0.173 0.722 0.140 0.170 0.113 1.620
1-Pentene, 2-methyl- Aliphatic Lipid 0.000 0.000 0.000 0.000 0.000 0.000 0.134 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
1-Pentene, 3-ethyl-2-methyl- Aliphatic Lipid 0.000 0.046 0.000 0.198 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.065 0.000 0.000 0.000 0.207 0.000 0.000 0.000 0.000
2-Butenedioic acid, 2-methyl-, (E)- FAME Lipid 0.000 0.208 0.000 0.000 0.000 0.000 0.227 0.000 0.131 0.483 0.000 0.092 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.175 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3-Decene Aliphatic Lipid 0.550 1.990 2.087 0.000 0.481 0.771 1.567 0.000 0.882 2.220 0.266 1.181 1.480 1.367 0.269 0.000 0.688 0.000 2.009 0.119 0.632 0.000 0.935 0.218 0.636 1.034 0.000 2.525 0.000 0.000
7-Tetradecene Aliphatic Lipid 0.915 2.356 2.463 0.000 0.444 0.669 2.112 0.588 0.286 1.419 0.000 0.000 0.350 1.435 0.587 0.000 0.655 1.183 0.289 0.674 0.448 0.749 1.737 0.203 0.000 1.007 0.348 1.765 0.000 0.446
C14_alkene_#3 other Lipid 0.293 0.319 2.745 1.034 1.838 3.433 0.373 1.210 0.000 1.458 0.000 1.418 3.864 2.832 0.414 0.000 0.000 1.732 0.000 0.696 0.522 0.000 0.672 0.327 0.000 0.000 0.316 2.650 4.001 0.568
Docosanoic acid, methyl ester (C22:0) FAME Lipid 0.000 1.144 1.158 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.795 0.000 0.000 0.000 0.000 1.645 0.000 0.000
Dodecene Aliphatic Lipid 0.000 0.000 0.098 0.000 0.000 0.000 1.518 0.000 1.119 0.000 0.000 0.000 0.000 1.500 0.000 0.000 0.216 1.215 0.000 0.493 0.000 0.000 1.292 0.000 0.000 0.000 0.000 0.000 0.000 0.246
Eicosanoic acid, methyl ester FAME Lipid 0.000 0.000 0.295 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.525 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Hex-2-yn-4-one, 2-methyl- Aliphatic Lipid 0.000 0.000 0.000 0.000 0.000 0.000 0.070 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.950 0.000 0.000 0.000 0.000
Hexadecanoic acid, methyl ester (Palmitic acid-C16) FAME Lipid 0.000 0.675 0.000 0.000 0.000 0.000 0.320 0.000 0.000 0.126 0.000 0.000 0.000 0.149 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.550 0.000 0.000 0.482 0.000 0.194 0.000 0.000
n-Decane Aliphatic Lipid 0.364 2.975 0.977 0.000 0.000 0.559 1.565 0.000 0.232 0.456 0.000 0.000 0.289 0.530 0.000 0.202 0.839 0.000 0.000 0.359 0.000 0.000 1.062 0.286 0.000 0.000 0.000 0.560 0.000 0.580
n-Docosane (C22) Aliphatic Lipid 0.000 2.419 1.293 0.000 0.000 0.000 1.394 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.672 0.000 0.000 0.514 0.000 0.000 1.076 0.000 0.000 0.000 0.000 1.745 0.000 0.000
n-Dodecane Aliphatic Lipid 0.414 1.641 1.777 0.000 0.000 0.483 1.325 0.000 0.390 0.617 0.075 0.079 0.288 0.834 0.392 0.127 0.607 0.696 0.332 0.549 0.459 0.394 1.297 0.000 0.329 1.026 0.000 1.132 0.357 0.659
n-Dotriacontane Aliphatic Lipid 6.849 0.000 1.216 1.139 0.000 11.493 0.000 1.715 5.840 2.590 0.000 0.000 4.388 9.698 4.971 4.435 2.589 0.000 4.874 2.560 2.140 4.394 1.645 2.002 2.349 6.078 0.806 0.000 6.953 4.867
n-Eicosane Aliphatic Lipid 3.253 1.921 1.973 0.000 0.000 1.466 1.798 0.905 0.000 0.000 0.000 0.279 1.141 1.451 0.000 0.000 1.013 0.893 0.000 1.245 0.973 0.000 1.216 0.000 0.000 1.168 0.000 2.315 0.000 0.000
n-Heneicosane (C21) Aliphatic Lipid 0.000 2.275 2.224 0.000 0.000 2.485 2.267 0.000 0.499 1.116 0.000 0.000 0.000 1.872 0.000 0.000 0.793 1.359 0.434 1.499 0.000 0.842 1.997 0.225 1.361 1.066 1.109 2.207 0.000 0.000
n-Heptacosane (C27) Aliphatic Lipid 3.394 0.000 4.688 1.919 5.149 7.710 0.000 2.903 0.000 0.000 0.000 0.000 2.867 0.000 5.802 0.000 0.000 0.000 0.789 0.385 0.458 0.831 1.057 0.511 0.000 1.488 0.571 0.000 0.000 1.632
n-Heptadecane Aliphatic Lipid 0.000 2.999 3.616 0.122 0.410 1.350 2.356 0.171 0.752 1.085 0.000 0.198 0.000 1.364 0.000 0.076 0.783 1.158 0.000 0.572 0.311 0.524 2.456 0.146 0.000 1.350 0.348 2.700 0.000 0.565
n-Heptane Aliphatic Lipid 0.271 0.897 0.000 0.164 0.787 0.000 1.247 0.398 0.111 0.000 0.000 0.000 0.117 1.083 0.000 0.282 0.267 0.238 0.209 0.448 0.385 0.000 0.000 0.426 0.354 4.855 0.370 0.735 0.396 0.530
n-Hexacosane (C26) Aliphatic Lipid 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.583 0.000 0.000 0.000 0.000 0.000 0.000
n-Hexadecane Aliphatic Lipid 0.000 2.390 3.125 0.000 0.291 0.821 1.951 0.229 0.339 1.128 0.000 0.000 0.618 1.154 0.510 0.000 0.914 1.033 0.000 0.393 0.395 0.535 1.909 0.081 0.636 1.184 0.000 2.090 0.638 0.799
n-Nonacosane (C29) Aliphatic Lipid 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.440 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.845 0.000 2.571 1.587 1.542 1.969 1.364 0.728 2.182 3.493 0.821 0.000 0.000 0.000
n-Nonane Aliphatic Lipid 0.481 1.917 1.213 0.291 0.258 0.402 1.311 0.961 0.352 0.503 0.000 0.190 0.221 0.672 0.123 0.136 0.676 0.484 0.239 0.846 0.637 0.496 0.984 0.541 0.315 1.101 0.573 0.897 0.520 0.574
n-Octadecane Aliphatic Lipid 0.000 2.829 3.187 0.447 0.502 1.277 2.167 0.000 0.337 1.104 0.000 0.000 0.000 1.458 0.000 0.000 0.775 1.309 0.320 0.604 0.454 0.789 2.297 0.000 0.000 0.726 0.385 2.825 0.000 1.157
n-Octane Aliphatic Lipid 0.232 1.224 1.345 0.974 0.317 0.524 1.209 0.490 0.330 0.378 0.118 0.000 0.117 0.478 0.211 0.253 0.848 0.577 0.449 0.871 1.104 1.006 0.735 0.700 0.736 0.714 0.598 0.795 0.168 0.734
n-Pentacosane (C25) Aliphatic Lipid 3.576 2.463 0.000 1.345 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.402 0.000 0.000 1.891 0.000 0.000 0.000 0.000 0.000 0.000 0.000
n-Pentadecane Aliphatic Lipid 0.000 2.463 2.837 0.310 0.368 0.794 2.012 0.446 0.428 1.041 0.247 0.263 0.000 1.170 0.000 0.267 0.864 1.015 0.000 0.653 0.435 0.665 1.820 0.297 0.744 0.975 0.256 1.917 0.734 0.871
n-Tetradecane Aliphatic Lipid 1.287 1.926 2.313 0.000 0.312 0.681 1.616 0.000 0.313 0.869 0.000 0.161 0.412 0.960 0.000 0.000 0.627 0.961 0.807 0.908 0.686 0.439 1.532 0.000 0.565 0.904 0.590 1.512 0.505 0.708
n-Triacontane (C30) Aliphatic Lipid 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 4.646 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.986 0.000 0.000 0.000 5.734 0.000
n-Tricosane (C23) Aliphatic Lipid 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.249 0.000 0.000 0.000 0.000 0.000 2.437 0.000 0.000 1.784 0.000 1.262 0.000 0.000 0.000 1.589 0.000 0.000 3.201 0.000 3.175 0.000 0.000
n-Tridecane Aliphatic Lipid 1.226 1.809 2.074 0.297 0.205 0.582 1.514 0.165 0.298 0.774 0.125 0.189 0.000 0.957 0.761 0.131 1.038 0.853 0.207 0.339 0.379 0.414 1.267 0.259 0.607 0.821 0.222 1.360 0.000 0.729
n-Undecane Aliphatic Lipid 0.449 1.448 1.440 0.000 0.227 0.532 1.267 0.225 0.369 0.629 0.000 0.372 0.433 0.782 0.284 0.152 0.352 0.577 0.000 0.000 0.627 0.549 1.228 0.311 0.308 0.655 0.000 1.042 0.000 0.554
Pentadecanoic acid, 14-methyl-, methyl ester FAME Lipid 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.068 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Propene Aliphatic Lipid 0.000 0.000 0.000 0.419 0.000 0.000 0.000 0.251 0.155 0.000 0.187 0.000 0.069 0.000 0.000 0.122 0.000 0.000 0.000 0.000 0.267 0.138 0.000 0.123 0.000 0.254 0.000 0.000 0.000 0.000
Tetracosanoic acid, methyl ester (C24:0 Lignoceric acid ME) FAME Lipid 0.000 1.921 1.370 0.000 0.000 0.000 1.340 0.000 0.000 0.000 0.000 0.000 0.000 1.300 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.737 0.000 0.000 0.170 0.000 0.640 0.000 0.000
1,4-Benzenediamine Aromatic N-Bearing 0.275 0.000 0.334 0.000 0.000 0.428 0.000 0.371 0.000 0.566 0.000 0.279 0.187 0.000 0.066 0.299 0.815 0.000 0.000 0.000 0.000 0.235 0.000 0.473 0.000 0.000 0.000 0.000 0.163 0.000
1H-1,2,4-Triazole Aromatic N-Bearing 0.208 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
1H-Pyrrole-2-carboxaldehyde Aromatic N-Bearing 0.804 3.828 0.000 4.164 3.035 4.423 4.868 3.806 3.325 4.480 2.310 2.578 0.184 2.515 0.237 2.018 1.752 4.517 0.000 2.194 3.144 2.800 3.817 2.212 1.324 3.331 4.637 3.275 0.000 3.760
1H-Pyrrole-2-carboxaldehyde, 1-methyl- Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.092 0.000 0.000 0.010 0.000 0.000 0.000 0.000
1H-Tetrazole, 1-methyl- Aromatic N-Bearing 0.000 0.030 0.000 0.087 0.000 0.000 0.000 0.000 0.047 0.000 0.000 0.051 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.042 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2,5-Furandione, 3-methyl- Aromatic N-Bearing 0.000 0.187 0.000 0.390 0.245 0.000 0.187 0.000 0.390 0.000 0.878 0.365 0.000 0.161 0.000 0.000 0.000 0.000 0.000 0.119 0.407 0.324 0.000 0.000 0.000 0.000 0.586 0.137 0.000 0.000
2-Pyridinecarbonitrile Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.112 0.000 0.000 0.000 0.000
2-Pyrimidinamine Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.112 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3-Methylpyridazine Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.104 0.000 0.000 0.000 0.000 0.000 0.000 0.085 0.000 0.000 0.000 0.000 0.000 0.000 0.064 0.000 0.000 0.000 0.197 0.000 0.000 0.000 0.000
3-Phenylpyridine Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.080 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.025 0.000 0.000 0.000 0.000 0.000 0.059 0.000 0.000 0.000 0.000 0.058 0.000 0.000
3-Pyridinol Aromatic N-Bearing 0.000 0.000 0.058 0.083 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.727 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.235 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4(1H)-Pyridinone, 2,3-dihydro-1-methyl- Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.044 0.000 0.000 0.000 0.000 0.000 0.000 0.000
4-Amino-2(1H)-pyridinone Aromatic N-Bearing 0.525 0.000 0.000 1.520 0.804 0.617 0.000 1.586 1.654 0.000 1.475 1.549 0.686 0.000 0.000 0.965 0.777 0.000 0.000 1.107 1.602 1.251 0.000 1.180 0.000 0.000 2.103 0.000 0.000 0.000
5H-1-Pyrindine Aromatic N-Bearing 0.000 0.039 0.000 0.000 0.000 0.000 0.094 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.176 0.000 0.000 0.163 0.000 0.000 0.116 0.000 0.000 0.000 0.000
Acetamide, N-(2,4-dihydroxyphenyl)- Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.058 0.067 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.014 0.248 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.267 0.000 0.000 0.000 0.000
Acetamide, N-hydroxy Aliphatic N-Bearing 0.000 0.000 0.000 1.711 0.000 0.000 0.000 0.000 4.306 0.000 8.512 4.463 0.000 0.000 0.000 1.254 0.000 0.000 0.000 1.844 0.000 3.887 0.000 0.225 0.000 0.000 0.423 0.000 0.000 0.000
Alpha-amino-gamma-butyrolactone Aromatic N-Bearing 0.000 0.032 0.000 0.540 0.116 0.000 0.062 0.259 0.000 0.077 0.248 0.179 0.000 0.000 0.000 0.365 0.000 0.000 0.000 0.331 0.278 0.000 0.000 0.000 0.000 0.065 0.530 0.000 0.000 0.000
Aniline Aromatic N-Bearing 0.056 0.458 0.000 0.228 0.215 0.666 0.313 0.627 0.480 0.240 0.194 0.260 0.000 0.378 0.000 0.442 0.239 0.231 0.000 0.499 0.448 0.304 0.306 0.847 0.000 0.797 0.250 0.355 0.000 0.373
Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)- Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.086 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.059 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.041
Hexanedinitrile Aliphatic N-Bearing 0.000 0.256 0.000 0.000 0.059 0.000 0.536 0.000 0.000 0.000 0.000 0.000 0.000 0.216 0.000 0.000 0.000 0.101 0.114 0.720 0.147 0.000 0.000 0.000 0.000 0.000 0.046 0.240 0.000 0.000
N-Butyl-tert-butylamine Aliphatic N-Bearing 0.281 0.000 0.000 2.602 1.716 0.678 0.000 1.088 1.972 0.000 2.472 1.406 0.893 0.000 0.000 1.167 0.156 1.689 0.000 0.919 1.959 1.642 0.000 0.667 0.354 0.746 2.693 0.000 0.000 0.600
p-Aminotoluene Aromatic N-Bearing 0.034 0.073 0.034 0.047 0.000 0.065 0.071 0.000 0.055 0.000 0.000 0.000 0.000 0.000 0.000 0.046 0.047 0.000 0.042 0.090 0.087 0.027 0.125 0.236 0.000 0.141 0.037 0.061 0.012 0.000
Pentylenetetrazol Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.163 0.000 0.000 0.000 0.000
Piperidine-2,5-dione Aromatic N-Bearing 0.065 0.000 0.000 0.000 0.000 0.000 0.000 0.074 0.027 0.000 0.000 0.041 0.000 0.000 0.000 0.045 0.058 0.000 0.631 0.000 0.000 0.000 0.076 0.000 0.017 0.000 0.000 0.000 0.000 0.072
Propane, 2-nitro- Aliphatic N-Bearing 0.000 0.958 0.879 0.399 0.237 0.512 1.205 0.861 0.199 0.861 0.085 0.235 0.000 0.356 0.000 0.539 0.453 0.419 0.449 0.343 0.392 0.676 0.382 0.417 0.000 0.604 0.372 0.707 0.000 0.000
Pyrazolo[5,1-c][1,2,4]benzotriazin-8-ol Aromatic N-Bearing 0.632 0.058 0.000 0.249 0.404 0.660 0.380 1.920 0.000 0.000 0.493 0.733 1.182 0.098 0.000 1.888 0.172 0.000 0.410 0.641 0.629 0.963 0.230 2.108 0.000 0.000 0.765 0.000 0.404 0.000
Pyridine 3-methyl Aromatic N-Bearing 0.183 0.000 0.000 0.000 0.000 1.199 0.000 0.000 0.000 0.586 0.000 0.000 0.000 0.000 0.221 0.067 0.000 0.000 0.000 0.000 0.058 0.172 0.000 0.455 0.096 0.253 0.029 0.000 0.032 0.124
Pyridine, 2-ethyl Aliphatic N-Bearing 0.061 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.085 0.000 0.000 0.000 0.080 0.000 0.000 0.076 0.095 0.000 1.066 0.047 0.000 0.000 0.000
Pyrimidine Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.090 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)- Aromatic N-Bearing 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.610 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
S-Tetrazine, 3-methyl-6-(2-thienyl)- Aromatic N-Bearing 0.000 0.000 0.000 0.010 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Phenol Aromatic Phenol 0.000 0.000 0.000 0.000 0.000 0.000 0.447 0.172 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.342 0.000 0.000 0.000 0.057 0.000 0.000
Phenol, 4-methyl- Aromatic Phenol 0.000 0.000 0.000 0.052 0.452 0.000 0.000 0.000 0.000 0.000 0.000 0.329 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.956 0.000 0.000 1.467 0.000 0.000 1.014 0.000 1.507 0.000 0.000
p-isopropenylphenol Aromatic Phenol 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.241 0.000 0.000 0.092 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
1,2-Cyclopentanedione Aromatic Polysaccharide 0.018 0.064 0.000 0.044 0.157 0.000 0.141 0.019 0.065 0.228 0.060 0.000 0.000 0.053 0.000 0.000 0.000 0.077 0.107 0.141 0.071 0.128 0.119 0.000 0.000 0.217 0.095 0.000 0.000 0.167
1,2-Cyclopentanedione, 3-methyl- Aromatic Polysaccharide 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.273 0.000 0.000 0.000 0.000 0.000 0.000
2(3H)-Benzofuranone, 3-methyl- Aromatic Polysaccharide 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.022 0.000 0.000 0.000 0.105 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2(3H)-Furanone, 5-methyl- Aromatic Polysaccharide 0.112 0.000 0.000 0.507 0.000 0.162 0.000 1.132 0.315 0.472 0.382 0.243 0.000 0.000 0.000 0.000 0.000 0.000 0.242 0.000 0.000 0.611 0.000 0.255 0.257 0.000 0.096 0.061 0.000 0.180
2(5H)-Furanone Aromatic Polysaccharide 0.208 0.851 1.265 1.583 0.900 0.649 1.182 0.878 0.923 0.904 1.339 0.828 0.000 0.734 0.000 0.503 0.483 0.961 0.000 0.512 0.823 0.913 0.801 0.311 0.386 0.999 0.985 1.017 0.000 0.729
2(5H)-Furanone, 5-methyl- Aromatic Polysaccharide 0.000 0.588 0.000 0.367 0.302 0.000 0.809 0.000 0.000 0.000 0.000 0.177 0.000 0.818 0.000 0.000 0.000 0.376 0.000 0.399 0.260 0.414 0.765 0.000 0.000 0.714 0.699 0.605 0.000 0.000
2-Acetylfuran Aromatic Polysaccharide 0.240 0.244 0.441 0.297 0.603 0.349 0.449 0.498 0.422 1.081 0.474 0.391 0.157 0.786 0.000 0.339 0.479 1.018 0.580 0.709 0.421 0.193 0.680 0.374 0.256 0.588 0.447 0.327 0.104 0.495
2-Butanone Aliphatic Polysaccharide 0.000 0.000 0.000 0.547 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2-Cyclopenten-1-one, 2,3-dimethyl- Aromatic Polysaccharide 0.234 0.510 0.668 2.277 0.125 0.157 0.447 0.417 0.394 0.225 0.154 0.141 0.145 0.359 0.179 0.228 0.498 0.828 0.097 0.536 0.558 0.346 0.000 0.297 0.285 0.789 0.686 0.000 0.595 0.000
2-Cyclopenten-1-one, 2-hydroxy-3-methyl- Aromatic Polysaccharide 0.000 1.402 1.940 2.798 3.839 3.782 1.282 2.013 2.941 3.376 3.063 2.649 0.000 1.995 0.000 2.170 3.641 3.585 0.780 1.940 2.897 3.549 0.993 1.550 4.028 2.858 2.799 1.910 0.000 3.526
2-Cyclopenten-1-one, 2-methyl- Aromatic Polysaccharide 0.505 1.724 2.442 1.021 0.741 1.548 2.445 0.727 0.567 2.177 0.388 0.764 0.175 1.694 0.142 0.773 1.248 1.219 0.733 1.685 1.236 0.791 1.856 0.820 0.590 0.000 0.648 2.397 0.248 0.615
2-Cyclopenten-1-one, 3-methyl- Aromatic Polysaccharide 0.879 0.895 0.000 0.854 0.829 2.051 1.018 1.069 0.752 1.309 0.320 0.943 0.516 0.802 0.430 0.638 1.353 0.502 1.023 1.261 1.157 1.101 0.981 1.016 0.754 1.571 0.699 0.985 1.389 0.866
2-Furanmethanol Aromatic Polysaccharide 0.000 0.000 0.000 0.102 0.000 0.000 0.000 0.686 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.037 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2H-Pyran-2-one Aliphatic Polysaccharide 0.000 0.000 0.000 0.494 0.586 0.000 0.000 0.422 0.163 0.321 0.198 0.427 0.000 0.000 0.000 0.075 0.000 0.000 0.000 0.297 0.224 0.265 0.368 0.098 0.000 0.418 0.406 0.000 0.030 0.252
3-Furaldehyde Aromatic Polysaccharide 0.000 0.000 0.000 0.000 0.980 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.015 0.000 0.000 0.000 0.000 0.000 0.040 0.000
4H-Pyran-4-one, 3-hydroxy-2-methyl- Aromatic Polysaccharide 0.315 0.000 0.000 1.629 0.000 1.126 0.042 0.632 0.829 0.000 0.949 0.671 0.371 0.000 0.000 0.584 1.009 0.000 0.664 1.315 0.625 0.907 0.000 1.050 0.480 0.000 2.137 0.000 0.000 1.195
5-Ethyl-2-furaldehyde Aromatic Polysaccharide 0.000 0.138 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.401 0.000 0.000 0.000 0.000 0.320 4.215 0.000
Acetic anhydride Aliphatic Polysaccharide 3.637 0.563 0.000 2.646 7.828 1.597 0.000 2.659 9.656 1.576 16.508 8.043 0.000 2.661 0.000 0.343 5.077 3.657 2.796 4.293 4.181 4.901 0.109 0.095 9.509 0.553 2.928 4.675 1.874 2.748
Benzofuran, 2,3-dihydro- Aromatic Polysaccharide 0.000 0.000 0.000 1.026 0.603 0.000 0.000 1.432 0.558 0.000 0.995 0.969 0.000 0.000 0.000 1.814 0.000 0.000 0.000 0.929 0.973 1.231 0.972 0.000 0.000 0.195 2.073 0.248 0.000 0.452
Benzofuran, 2-methyl- Aromatic Polysaccharide 0.000 0.193 0.417 0.089 0.172 0.404 0.347 0.117 0.292 0.226 0.268 0.235 0.079 0.246 0.656 0.163 0.868 0.289 0.999 0.528 0.364 0.224 0.452 0.462 0.664 0.203 0.303 0.467 0.126 0.259
Butanal, 2-methyl- Aliphatic Polysaccharide 0.000 0.000 3.217 0.655 1.013 1.589 0.000 0.573 0.829 1.148 0.886 2.601 0.644 0.000 0.445 1.329 0.769 0.592 1.268 0.911 0.701 1.535 0.933 0.863 1.033 0.979 0.816 1.895 0.000 1.483
Cyclopent-2-ene-1-one, 2,3,4-trimethyl- Aromatic Polysaccharide 0.000 0.054 0.118 0.000 0.000 0.000 0.000 0.138 0.118 0.000 0.182 0.000 0.000 0.000 0.000 0.068 0.064 0.000 0.000 0.000 0.062 0.000 0.108 0.000 0.000 1.066 0.185 0.000 0.000 0.231
Cyclopentanone Aromatic Polysaccharide 0.216 1.780 1.091 1.379 0.440 0.000 0.305 1.064 0.424 0.000 0.290 0.282 0.099 1.164 0.000 0.339 0.611 0.541 0.900 1.083 0.811 0.800 1.007 0.646 0.487 0.553 0.795 1.372 0.000 0.379
Cyclopropanecarboxaldehyde, methylene- Aromatic Polysaccharide 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.621 0.000 1.158 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.214 0.000 0.000 0.000
Furan, 2,3,5-trimethyl- Aromatic Polysaccharide 0.060 0.000 0.064 0.000 0.055 0.038 0.061 0.129 0.073 0.000 0.097 0.074 0.043 0.000 0.115 0.108 0.370 0.000 0.574 0.000 0.000 0.080 0.212 0.277 0.079 0.089 0.129 0.039 0.237 0.083
Furan, 2,5-dimethyl- Aromatic Polysaccharide 1.689 0.276 0.542 2.058 0.632 0.000 0.373 1.818 0.980 0.448 1.328 0.905 1.357 0.330 0.810 1.532 2.124 0.455 2.885 1.390 1.312 1.408 0.256 1.874 1.398 0.699 1.782 0.517 1.271 1.134
Furan, 2-ethyl- Aromatic Polysaccharide 0.057 0.273 0.000 0.269 0.044 0.000 0.000 0.366 0.181 0.000 0.160 0.033 0.102 0.000 0.000 0.204 0.429 0.000 0.661 0.302 0.230 0.183 0.461 0.401 0.173 0.000 0.385 0.192 0.071 0.109
Furan, 2-ethyl-5-methyl- Aromatic Polysaccharide 0.242 0.134 0.172 0.177 0.068 0.260 0.181 0.263 0.122 0.000 0.183 0.169 0.129 0.060 0.217 0.225 0.360 0.066 0.282 0.278 0.176 0.000 0.246 0.676 0.222 0.151 0.282 0.117 0.000 0.175
Furan, 3-methyl- Aromatic Polysaccharide 0.000 0.000 3.248 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Furfural Aromatic Polysaccharide 7.536 7.169 4.535 8.003 19.716 2.569 9.891 4.855 24.939 23.776 16.427 23.365 10.791 18.426 3.706 6.586 5.562 17.854 5.980 7.950 11.292 9.408 5.690 1.514 4.293 3.564 14.831 6.375 5.798 10.608
Furfural, 5-methyl- Aromatic Polysaccharide 0.068 0.218 0.055 0.776 0.265 0.172 0.187 0.181 0.273 7.270 0.428 0.172 1.141 0.215 0.050 0.076 0.698 0.332 1.710 0.584 2.765 0.146 0.352 0.122 0.937 1.287 0.498 0.094 1.720 5.596
Levoglucosan Aromatic Polysaccharide 0.000 0.000 0.000 1.733 0.975 0.000 0.000 0.693 0.000 0.000 2.223 0.000 0.000 0.000 0.000 0.000 0.000 1.405 0.410 0.806 0.456 0.000 0.000 0.000 0.738 0.000 1.109 0.000 0.000 0.793
Levoglucosenone Aromatic Polysaccharide 0.265 0.995 0.165 0.982 4.688 0.000 1.160 0.749 2.707 2.665 0.995 1.248 0.094 2.208 0.000 0.000 1.023 11.436 0.697 0.106 0.798 1.594 0.944 0.000 0.874 2.945 0.000 1.852 0.278 1.017
PENTANAL Aliphatic Polysaccharide 2.525 0.000 0.000 0.000 5.274 3.317 0.000 0.000 2.153 4.834 4.717 0.000 2.487 3.524 1.076 3.655 0.000 2.743 3.379 0.000 0.000 0.000 0.000 2.246 1.131 0.000 1.481 0.000 1.057 3.701
Vinylfuran Aromatic Polysaccharide 0.295 0.237 0.285 0.596 0.375 0.282 0.373 0.568 0.526 0.432 0.572 0.434 0.236 0.315 0.079 0.362 0.169 0.216 1.029 0.768 0.644 0.552 0.277 0.268 0.527 0.352 0.658 0.407 0.248 0.586
1H-Pyrrole, 1-methyl- Aromatic Protein 0.455 0.000 0.000 0.284 0.000 0.123 0.000 0.800 0.027 0.365 0.000 0.000 0.000 0.000 0.436 0.000 0.000 0.000 0.000 0.394 0.110 0.406 0.000 0.000 0.000 0.000 0.000 0.000 0.404 0.664
1H-Pyrrole, 2-methyl- Aromatic Protein 0.000 0.441 0.533 0.000 0.000 0.000 0.618 0.121 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.141 0.000 0.000 0.000 0.000 0.000 0.000 0.233 0.615 0.000 0.063 0.000 0.257 0.000 0.000
3-Methylindole Aromatic Protein 0.146 0.058 0.000 0.088 0.159 0.323 0.089 0.449 0.125 0.000 0.121 0.144 0.088 0.097 0.058 0.081 0.380 0.137 0.097 0.331 0.133 0.124 0.044 0.570 0.115 0.165 0.338 0.151 0.076 0.224
4-Pyridinamine Aromatic Protein 0.000 0.152 0.088 0.000 0.000 0.000 0.240 0.084 0.000 0.000 0.000 0.000 0.000 0.000 0.037 0.123 0.000 0.000 0.000 0.000 0.000 0.000 0.322 0.175 0.000 0.058 0.000 0.000 0.000 0.000
Benzenepropanenitrile Aromatic Protein 0.000 0.000 0.291 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.288 0.000 0.000 0.000 0.187 0.000 0.000 0.148 0.000 0.000 0.000 0.000 0.446 0.000 0.330 0.000 0.000
Benzonitrile Aromatic Protein 0.024 0.139 0.227 0.017 0.000 0.143 0.278 0.039 0.064 0.000 0.000 0.000 0.022 0.000 0.000 0.000 0.229 0.162 0.000 0.197 0.160 0.040 0.309 0.000 0.029 0.299 0.029 0.116 0.000 0.166
Benzyl nitrile Aromatic Protein 0.000 0.000 0.000 0.091 0.123 0.372 0.000 0.378 0.000 0.179 0.000 0.115 0.105 0.000 0.000 0.228 0.000 0.201 0.000 0.056 0.148 0.296 0.119 0.538 0.000 0.407 0.172 0.000 0.000 0.164
Ethylbenzene Aromatic Protein 0.000 0.000 0.000 0.000 0.435 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Indole Aromatic Protein 0.053 0.120 0.000 0.000 0.197 0.375 0.387 1.081 0.000 0.000 0.000 0.339 0.000 0.264 0.000 0.908 0.184 0.200 0.000 0.192 0.551 0.386 0.123 0.000 0.000 0.438 0.161 0.312 0.000 0.000
Pyridine Aromatic Protein 0.059 0.478 0.163 0.180 0.000 0.000 0.491 0.000 0.000 0.000 0.049 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.007 0.313 0.194 0.099 0.229 0.211 0.000 0.000 0.000 0.069
Pyridine Aromatic Protein 0.000 1.214 1.419 0.016 3.253 0.853 1.463 0.000 0.539 1.159 0.393 0.000 0.000 0.841 0.000 0.286 1.108 1.090 0.000 0.000 3.802 0.000 1.106 0.193 0.000 0.000 0.865 1.475 0.000 0.000
Pyridine, 3,5-dimethyl- Aromatic Protein 0.142 0.337 0.055 0.000 0.239 0.200 0.044 0.148 0.080 0.077 0.000 0.000 0.000 0.000 0.099 0.272 0.000 0.060 0.000 0.370 0.015 0.023 0.869 0.671 0.000 0.108 0.174 0.000 0.000 0.124
Pyrrole Aromatic Protein 0.000 2.585 0.000 0.481 0.000 0.000 1.780 3.879 0.350 0.000 0.000 0.000 0.000 0.802 0.106 0.000 0.398 0.717 0.000 0.929 1.016 0.859 0.000 0.000 0.000 0.000 1.039 1.115 0.338 0.635
Propanoic acid, 2-hydroxy-, methyl ester, (Ò)- FAME Unknown Origin 0.136 0.038 0.000 0.127 0.035 0.000 0.038 0.324 0.040 0.000 0.047 0.000 0.000 0.000 0.000 0.706 0.000 0.000 0.000 0.000 0.080 0.083 0.000 0.311 0.025 0.030 0.023 0.000 0.355 0.062
(E)-1,3-Butadien-1-ol Aliphatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.074 0.000 0.000 0.000 0.000 0.655 0.000 0.000 0.000 0.000 0.349 0.000 0.000 0.000 0.517 0.000 0.000 0.000 0.000
1,3,5,7-Cyclooctatetraene Aromatic Unknown Origin 0.525 1.207 1.121 0.544 0.733 1.199 0.000 1.357 0.750 1.305 0.483 0.544 0.115 1.086 0.560 1.001 1.377 1.018 0.000 0.000 1.264 0.730 1.002 1.487 0.572 1.713 1.047 1.772 1.051 0.766
1,3,5-Cycloheptatriene Aromatic Unknown Origin 0.039 0.098 0.161 0.228 0.270 0.000 0.152 0.000 0.000 0.268 0.056 0.224 0.098 0.068 0.000 0.000 0.340 0.236 0.807 0.431 0.258 0.133 0.235 0.000 0.020 0.246 0.192 0.000 0.023 0.443
1,3,5-Cyclooctatriene Aromatic Unknown Origin 0.000 0.361 0.000 0.000 0.000 0.000 1.818 0.000 0.000 0.000 0.000 0.000 0.970 0.000 0.000 0.000 0.000 0.000 1.055 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.477 0.000
1H-Inden-1-one, 2,3-dihydro- Aromatic Unknown Origin 0.154 0.246 0.325 0.288 0.147 0.375 0.396 0.136 0.204 0.440 0.133 0.150 0.099 0.394 0.000 0.088 0.532 0.239 0.000 0.176 0.295 0.257 0.606 0.130 0.137 0.505 0.233 0.437 0.000 0.087
1-Propanone, 1-cyclopropyl Aromatic Unknown Origin 0.000 0.000 0.000 0.120 0.000 0.000 0.000 0.000 0.000 0.000 0.038 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.057 0.000 0.071 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
1-Propene, 3-azido- Aliphatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.079 0.000 0.000 0.000
1-Undecanol Aliphatic Unknown Origin 0.368 2.319 1.845 0.861 1.038 0.896 1.963 0.016 0.333 1.065 0.000 0.218 0.226 1.788 0.106 0.324 0.815 1.115 0.463 1.221 0.678 0.555 1.502 0.642 0.667 1.283 0.814 1.547 0.396 1.405
2,3,5-Trimethylnaphthalene Aromatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.096 0.000 0.089 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.452 0.000 0.000 0.000 0.000 0.070 0.000 0.000
2,3,6-Trimethylnaphthalene Aromatic Unknown Origin 0.216 0.393 0.295 0.000 0.000 0.132 0.309 0.000 0.000 0.158 0.062 0.000 0.000 0.105 0.000 0.159 0.372 0.000 0.356 0.234 0.196 0.000 0.537 0.236 0.000 0.310 0.000 0.365 0.554 0.183
2-Butanone, 3,3-dimethyl- Aliphatic Unknown Origin 0.000 0.063 0.000 0.453 0.170 0.000 0.062 0.000 0.000 0.171 0.000 0.193 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.267 0.000 0.000 0.000 0.000 0.000 0.130 0.513 0.053 0.000 0.038
2-Butenoic acid, methyl ester, (E)- FAME Unknown Origin 0.124 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.342 0.000 0.120 0.000 0.000 0.000 0.000 0.536 0.155 0.000 0.000 0.000 0.000 0.000
2-Cyclohexen-1-one Aromatic Unknown Origin 0.000 0.000 0.061 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.178 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2H-1-Benzopyran-3,4-diol, 2-(3,4-dimethoxyphenyl) Aromatic Unknown Origin 0.000 0.062 0.000 0.694 0.291 0.340 0.000 0.759 0.000 0.000 0.567 0.563 0.448 0.087 0.113 0.596 1.064 0.072 2.228 0.294 0.439 0.676 0.000 1.052 0.698 0.000 0.808 0.081 0.000 1.096
2-Methylthiophene Aromatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.050 0.000 0.000 0.000 0.000 0.000 0.000
2-Propen-1-ol Aliphatic Unknown Origin 0.000 0.000 0.185 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
2-Propenoic acid, butyl ester Aliphatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.253 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
3-Penten-2-one, (E)- Aliphatic Unknown Origin 0.000 0.120 0.000 0.401 0.126 0.043 0.400 0.237 0.215 0.000 0.247 0.246 0.000 0.171 0.000 0.206 0.101 0.043 0.000 0.444 0.413 0.490 0.000 0.473 0.000 0.383 0.000 0.179 0.000 0.290
4-Hydroxy-2-methylacetophenone Aromatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.023 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.017 0.000 0.066 0.000 0.000 0.000 0.000 0.000 0.000 0.000
5-Heptadecene, 1-bromo- Aliphatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.111 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
7-Methylindan-1-one Aromatic Unknown Origin 0.047 0.074 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.045 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Acenaphthene Aromatic Unknown Origin 0.000 0.035 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.100 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Acenaphthylene Aromatic Unknown Origin 0.000 0.000 0.000 0.121 0.000 0.000 0.000 0.000 0.000 0.000 0.512 0.403 0.000 0.000 0.000 0.000 0.000 0.366 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.077
Benzene, 1,4-dimethoxy-2,3,5,6-tetramethyl- Aromatic Unknown Origin 0.143 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.049 0.000 0.000 0.000 0.000 0.000
Benzene, heptyl- Aromatic Unknown Origin 0.053 0.383 0.000 0.000 0.130 0.074 0.177 0.000 0.000 0.000 0.000 0.000 0.036 0.000 0.086 0.000 0.053 0.133 0.033 0.042 0.057 0.000 0.373 0.082 0.000 0.000 0.078 0.187 0.000 0.066
Benzene, pentyl- Aromatic Unknown Origin 0.042 0.280 0.365 0.180 0.086 0.049 0.204 0.151 0.097 0.218 0.000 0.064 0.090 0.197 0.115 0.077 0.000 0.160 0.000 0.308 0.173 0.242 0.468 0.367 0.000 0.176 0.197 0.270 0.197 0.173
C11_H12 other Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.039 0.000 0.000 0.000 0.000 0.000 0.000 0.022 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.058 0.000 0.000 0.000 0.000
C8_H16 other Unknown Origin 0.000 2.109 2.209 0.410 0.444 0.120 1.707 0.371 0.691 0.000 0.047 0.136 0.000 1.413 0.000 0.145 0.000 1.119 0.000 0.682 0.622 0.392 0.127 0.455 0.236 1.117 0.801 1.542 0.156 0.790
C9_H8 other Unknown Origin 0.261 0.836 1.318 0.000 0.000 0.000 0.791 0.244 0.335 0.000 0.224 0.000 0.191 0.792 0.000 0.303 0.870 0.484 0.903 0.000 0.443 0.284 1.304 0.809 0.000 0.000 0.323 1.110 0.000 0.510
Calamenene (Naphthalene) Aromatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.216 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Cyclobut-1-enylmethanol Aromatic Unknown Origin 0.000 0.000 0.000 0.720 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Cyclopentane, bromo- Aromatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.134 0.000 0.000 0.000
Dimethylbenzofuran Aromatic Unknown Origin 0.309 0.095 0.125 0.941 1.674 0.271 0.130 0.510 0.212 1.002 0.176 0.341 0.269 0.087 0.148 0.234 0.396 0.000 0.966 0.684 0.189 0.213 0.461 0.586 0.136 0.167 0.127 0.195 0.114 0.487
Disulfide, dimethyl Aliphatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.736 0.000 0.000 0.000 0.446 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
D-Limonene Aromatic Unknown Origin 0.000 0.000 0.000 0.226 0.000 0.000 0.000 0.415 0.000 0.000 0.000 0.000 0.000 0.000 0.088 1.245 0.000 0.000 0.407 0.463 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Ethanone, 1-(3-hydroxy-4-methoxyphenyl)- Aromatic Unknown Origin 0.248 0.085 0.000 0.314 0.253 0.480 0.103 0.300 0.150 0.000 0.066 0.408 0.276 0.246 0.000 0.819 0.356 0.556 0.052 0.386 1.044 0.535 0.277 1.460 0.766 0.139 0.310 0.219 0.125 0.087
Hydroquinone Aromatic Unknown Origin 0.000 0.077 0.000 0.321 0.207 0.000 0.000 0.027 0.307 0.268 0.420 0.227 0.000 0.097 0.000 0.036 0.275 0.227 0.138 0.423 0.331 0.265 0.122 0.000 0.143 0.185 0.519 0.000 0.000 0.408
Indane Aromatic Unknown Origin 0.185 0.285 0.306 0.113 0.153 0.311 0.181 0.119 0.088 0.325 0.050 0.061 0.071 0.365 0.071 0.354 0.429 0.252 1.540 0.790 0.162 0.073 0.682 0.347 0.112 0.346 0.131 0.305 2.268 0.141
Mequinol Aromatic Unknown Origin 2.101 0.395 0.830 2.062 1.302 1.958 0.302 2.428 1.211 0.790 1.982 2.506 1.942 0.466 2.910 3.027 1.962 1.040 2.715 2.146 2.074 2.343 0.988 3.829 3.314 0.667 2.045 0.610 0.218 1.661
Methanesulfonic acid, methyl ester Aliphatic Unknown Origin 0.000 0.159 0.000 0.000 0.000 0.000 0.100 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Monobenzone Aromatic Unknown Origin 0.000 0.434 0.000 0.000 0.000 0.000 0.662 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.308 0.000 0.078 0.864 0.000 0.000 0.113 0.000 0.000 0.000 0.000
Phenol, 2-methoxy-5-(1-propenyl)-, (E)- Aromatic Unknown Origin 4.586 0.226 0.000 1.473 1.034 0.815 0.311 2.611 0.678 0.000 1.027 1.229 3.247 0.317 9.472 2.912 0.856 0.000 1.612 1.956 1.174 1.124 0.422 2.523 1.496 0.000 1.970 0.000 3.466 1.081
Phosphonic acid, (p-hydroxyphenyl)- Aliphatic Unknown Origin 0.114 0.000 2.945 0.722 0.000 0.000 0.260 0.211 0.000 0.000 0.000 2.208 1.685 0.000 0.000 0.000 0.487 0.000 0.000 0.000 0.909 0.000 0.493 0.000 0.000 0.000 0.175 0.000 0.000 0.288
Pyruvaldehyde Aliphatic Unknown Origin 0.000 2.160 0.000 1.913 1.603 0.000 3.001 0.182 0.563 0.000 0.775 0.520 0.349 0.000 0.017 0.000 0.000 0.000 0.000 1.183 0.229 0.490 0.470 0.000 1.846 0.880 0.596 0.000 0.000 0.839
Resorcinol (Dihydroxybenzene) Aromatic Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.984 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.301 0.000 0.000 0.000
Spiro[2.4]hepta-4,6-diene Aromatic Unknown Origin 0.000 0.029 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Succinic acid, dimethyl ester FAME Unknown Origin 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.405 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Toluene Aromatic Unknown Origin 5.334 5.608 5.209 3.340 1.842 6.750 7.046 6.051 3.005 2.865 1.835 2.840 4.039 3.879 14.985 11.935 8.961 3.585 4.754 6.360 2.749 4.619 4.789 9.820 4.181 5.842 2.949 6.450 2.888 4.546
Trimethylphenol Aromatic Unknown Origin 0.074 0.041 0.122 0.066 0.043 0.209 0.049 0.192 0.113 0.000 0.227 0.105 0.045 0.041 0.000 0.156 0.170 0.000 0.299 0.065 0.035 0.248 0.239 0.153 0.056 0.074 0.073 0.126 0.103 0.047
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<title>Toolik fertilization experiment 2015 pluck Gas chromatography–mass spectrometry (GCMS) soil measurements</title>
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<givenName>Nathan</givenName>
<surName>Thorp</surName>
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<organizationName>University of New Hampshire</organizationName>
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<deliveryPoint>UNH Morse Hall 346 8 College Rd</deliveryPoint>
<city>Durham</city>
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<deliveryPoint>UNH Morse Hall 346 8 College Rd</deliveryPoint>
<city>Durham</city>
<administrativeArea>New Hampshire</administrativeArea>
<postalCode>03824</postalCode>
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<givenName>Erik</givenName>
<surName>Hobbie</surName>
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<organizationName>University of New Hampshire</organizationName>
<positionName>Research Professor</positionName>
<address>
<deliveryPoint>8 College Road</deliveryPoint>
<city>Durham</city>
<administrativeArea>New Hampshire</administrativeArea>
<postalCode>03824</postalCode>
<country>USA</country>
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<phone phonetype="voice">6038623581</phone>
<electronicMailAddress>erik.hobbie@unh.edu</electronicMailAddress>
<role>coPrincipalInvestigator</role>
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<associatedParty id="2630444896800526">
<individualName>
<givenName>Laura</givenName>
<surName>Gough</surName>
</individualName>
<organizationName>University of Texas Arlington</organizationName>
<positionName>Professor</positionName>
<address>
<deliveryPoint>701 S. Nedderman Dr (mailbox: 19498)</deliveryPoint>
<city>Arlington</city>
<administrativeArea>Texas</administrativeArea>
<postalCode>76019</postalCode>
<country>USA</country>
</address>
<phone phonetype="voice">817-272-2011</phone>
<electronicMailAddress>gough@uta.edu</electronicMailAddress>
<role>coPrincipalInvestigator</role>
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<pubDate>2017-04-26</pubDate>
<abstract>
<para>The file contains data from pyrolysis gas chromatography mass spectrometry analysis of carbon compounds in mineral and organic soils taken from a long term fertilization experiment at Toolik Research Station, Alaska. Established in 1981, permafrost plots were fertilized yearly at a rate of 10 grams nitrogen per square meter per year as ammonium nitrate and 5 grams phosphorus per square meter per year as phosphorus pentoxide. Samples were taken from the active layer and include mineral, mixed, and organic soils from the 2015 pluck (harvest). There was a significant (p=0.0387) treatment effect for protein, suggesting a potential shift in microbial populations.</para>
</abstract>
<keywordSet>
<keyword>carbon</keyword>
<keyword>pyrolysis GCMS</keyword>
<keyword>arctic</keyword>
<keyword>soil</keyword>
<keywordThesaurus>None</keywordThesaurus>
</keywordSet>
<intellectualRights>
<para>
This work is licensed under the Creative Commons Attribution 4.0 International License.
To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
</para>
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<geographicDescription>Toolik Research Station, Alaska, USA</geographicDescription>
<boundingCoordinates>
<westBoundingCoordinate>-149.6128</westBoundingCoordinate>
<eastBoundingCoordinate>-149.6128</eastBoundingCoordinate>
<northBoundingCoordinate>68.6294</northBoundingCoordinate>
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<beginDate>
<calendarDate>1981</calendarDate>
</beginDate>
<endDate>
<calendarDate>2015</calendarDate>
</endDate>
</rangeOfDates>
</temporalCoverage>
<taxonomicCoverage>
<taxonomicClassification>
<taxonRankName>Species</taxonRankName>
<taxonRankValue>Eriophorum vaginatum</taxonRankValue>
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<taxonomicClassification>
<taxonRankName>Species</taxonRankName>
<taxonRankValue>Betula nana</taxonRankValue>
</taxonomicClassification>
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<contact id="1135900638500473">
<individualName>
<givenName>Nathan</givenName>
<surName>Thorp</surName>
</individualName>
<organizationName>University of New Hampshire</organizationName>
<positionName>PhD student</positionName>
<address>
<deliveryPoint>UNH Morse Hall 346 8 College Rd</deliveryPoint>
<city>Durham</city>
<administrativeArea>New Hampshire</administrativeArea>
<postalCode>03824</postalCode>
<country>United States</country>
</address>
<phone phonetype="voice">6038622464</phone>
<electronicMailAddress>natethorp@gmail.com</electronicMailAddress>
</contact>
<methods>
<methodStep>
<description>
<section>
<title>Fertilized arctic soil collection</title>
<para>Four replicate 5 x 20 m blocks were fertilized yearly, receiving 10 grams nitrogen per square meter per year as ammonium nitrate and 5 grams phosphorus per square meter per year as phosphorus pentoxide, since 1981. Plots were moist acidic tussock tundra originally dominated by the sedge Eriophorum vaginatum and persisting in the control plots. Nutrient addition plots have become dominated by the deciduous shrub Betula nana, which was originally present as a smaller proportion of the plant community (Shaver and others 2001). Sample names are a composite descriptor where four blocks (B1-B4) each of two treatments; nitrogen and phosphorus addition (NP) or control (CT). The last part of the sample name indicates the horizon. The three soil fractions are indicated in the sample name where O represents the organic horizon, LO (lower organic) is a mixed layer, and M is the mineral horizon. A subset of samples were analyzed using pyrolysis gas chromotography mass spectrometry in the Grandy Lab at the University of New Hampshire. Chromatograms were compared against a library of known compounds and matches were included as percentages of total carbon compounds for each sample. These compounds are also grouped into compound classes in the "Compounds" sheet.</para>
</section>
</description>
</methodStep>
</methods>
<project>
<title>Toolik fertilization experiment 2015 pluck Gas chromatography–mass spectrometry (GCMS) soil measurements</title>
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<individualName>
<givenName>Nathan</givenName>
<surName>Thorp</surName>
</individualName>
<role>originator</role>
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<para>1026843</para>
<para>981022</para>
<para>9211775</para>
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<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>Lignin</attributeName>
<attributeDefinition>Percentage of sample consisting of lignin polymers.</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>Lipid</attributeName>
<attributeDefinition>Percentage of sample consisting of lipids.</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>Polysaccharide</attributeName>
<attributeDefinition>Percentage of sample consisting of polyssacharides.</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>N_Bearing</attributeName>
<attributeDefinition>Percentage of sample consisting of nitrogen bearing compounds.</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>Protein</attributeName>
<attributeDefinition>Percentage of sample consisting of protein.</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>Phenol</attributeName>
<attributeDefinition>Percentage of sample consisting of phenol.</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>Unkown_Origin</attributeName>
<attributeDefinition>Percentage of sample of unkown origin.</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>treatment</attributeName>
<attributeDefinition>What type of treatment the sample received.</attributeDefinition>
<measurementScale>
<nominal>
<nonNumericDomain>
<enumeratedDomain>
<codeDefinition>
<code>NA</code>
<definition>NA</definition>
</codeDefinition>
</enumeratedDomain>
</nonNumericDomain>
</nominal>
</measurementScale>
</attribute>
<attribute>
<attributeName>horizon</attributeName>
<attributeDefinition>Which horizon the sample was taken from.</attributeDefinition>
<measurementScale>
<nominal>
<nonNumericDomain>
<textDomain>
<definition>Which horizon the sample was taken from.</definition>
</textDomain>
</nonNumericDomain>
</nominal>
</measurementScale>
</attribute>
<attribute>
<attributeName>block</attributeName>
<attributeDefinition>Which block the sample was taken from</attributeDefinition>
<measurementScale>
<nominal>
<nonNumericDomain>
<textDomain>
<definition>Which block the sample was taken from</definition>
</textDomain>
</nonNumericDomain>
</nominal>
</measurementScale>
</attribute>
</attributeList>
</dataTable>
<dataTable>
<entityName>compounds.csv</entityName>
<entityDescription>Information about various compounds.</entityDescription>
<physical id="test.2.1">
<objectName>compounds.csv</objectName>
<size unit="bytes">64549</size>
<authentication method="SHA-1">41d1367dc45cee6b15b0af48b35e9bf575cc6845</authentication>
<dataFormat>
<textFormat>
<numHeaderLines>1</numHeaderLines>
<recordDelimiter>\n\r</recordDelimiter>
<attributeOrientation>column</attributeOrientation>
<simpleDelimited>
<fieldDelimiter>,</fieldDelimiter>
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</textFormat>
</dataFormat>
<distribution>
<online>
<url function="download">https://cn.dataone.org/cn/v2/resolve/test.2.1</url>
</online>
</distribution>
</physical>
<attributeList>
<attribute>
<attributeName>Compound</attributeName>
<attributeDefinition>Compound name.</attributeDefinition>
<measurementScale>
<nominal>
<nonNumericDomain>
<textDomain>
<definition>Compound name</definition>
</textDomain>
</nonNumericDomain>
</nominal>
</measurementScale>
</attribute>
<attribute>
<attributeName>Type</attributeName>
<attributeDefinition>Compound type.</attributeDefinition>
<measurementScale>
<nominal>
<nonNumericDomain>
<textDomain>
<definition>Compound type</definition>
</textDomain>
</nonNumericDomain>
</nominal>
</measurementScale>
</attribute>
<attribute>
<attributeName>Source</attributeName>
<attributeDefinition>Source of compound.</attributeDefinition>
<measurementScale>
<nominal>
<nonNumericDomain>
<textDomain>
<definition>Soure of compound</definition>
</textDomain>
</nonNumericDomain>
</nominal>
</measurementScale>
</attribute>
<attribute>
<attributeName>B1_CT_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 1, control section, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B1_CT_M_1</attributeName>
<attributeDefinition>Percentage of compound found in block 1, control section, mineral horizon, measurement 1</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B1_CT_M_2</attributeName>
<attributeDefinition>Percentage of compound found in block 1, control section, mineral horizon, measurement 2</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B1_CT_O</attributeName>
<attributeDefinition>Percentage of compound found in block 1, control section, organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B1_NP_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 1, nitrogen phosphate added section, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B1_NP_LO_rerun</attributeName>
<attributeDefinition>Percentage of compound found in block 1, nitrogen phosphate added section, lower organic horizon rerun</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B1_NP_M</attributeName>
<attributeDefinition>Percentage of compound found in block 1, nitrogen phosphate added section, mineral horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B1_NP_O</attributeName>
<attributeDefinition>Percentage of compound found in block 1, nitrogen phosphate added section, organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B2_CT_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 2, control section, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B2_CT_M</attributeName>
<attributeDefinition>Percentage of compound found in block 2, control section, mineral horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B2_CT_O</attributeName>
<attributeDefinition>Percentage of compound found in block 2, control section, organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B2_NP_LO_1</attributeName>
<attributeDefinition>Percentage of compound found in block 2, nitrogen phosphate added section, lower organic horizon, measurement 1</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B2_NP_LO_2</attributeName>
<attributeDefinition>Percentage of compound found in block 2, nitrogen phosphate added section, lower organic horizon, measurement 2</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B2_NP_M</attributeName>
<attributeDefinition>Percentage of compound found in block 2, nitrogen phosphate added section, mineral horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B2_NP_O</attributeName>
<attributeDefinition>Percentage of compound found in block 2, nitrogen phosphate added section, organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B2_NP_O_1</attributeName>
<attributeDefinition>Percentage of compound found in block 2, nitrogen phosphate added section, organic horizon, second measurement</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B3_CT_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 3, control section, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B3_CT_M</attributeName>
<attributeDefinition>Percentage of compound found in block 3, control section, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B3_CT_O</attributeName>
<attributeDefinition>Percentage of compound found in block 3, control section, organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B3_NP2_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 3, nitrogen phosphate 2 added, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B3_NP3_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 3, nitrogen phosphate 3 added, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B3_NP_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 3, nitrogen phosphate added, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B3_NP_M</attributeName>
<attributeDefinition>Percentage of compound found in block 3, nitrogen phosphate added, mineral horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B3_NP_O</attributeName>
<attributeDefinition>Percentage of compound found in block 3, nitrogen phosphate added, organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B4_CT_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 4, control section, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B4_CT_M</attributeName>
<attributeDefinition>Percentage of compound found in block 4, control section, mineral horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B4_NP1_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 4, nitrogen phosphate 1 added, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B4_NP_M</attributeName>
<attributeDefinition>Percentage of compound found in block 4, nitrogen phosphate added, mineral horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B4_NP_O</attributeName>
<attributeDefinition>Percentage of compound found in block 4, nitrogen phosphate added, organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
<attribute>
<attributeName>B4_NP_LO</attributeName>
<attributeDefinition>Percentage of compound found in block 4, nitrogen phosphate added, lower organic horizon</attributeDefinition>
<measurementScale>
<ratio>
<unit>
<standardUnit>dimensionless</standardUnit>
</unit>
<numericDomain>
<numberType>real</numberType>
</numericDomain>
</ratio>
</measurementScale>
</attribute>
</attributeList>
</dataTable>
</dataset>
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