From 300f64d00aceb4f8948fd3701a694f201b05fbcf Mon Sep 17 00:00:00 2001
From: "Peter J. Jones" <peter@jonesbunch.com>
Date: Tue, 4 Aug 2026 13:38:16 +0200
Subject: [PATCH 1/7] test: Sync test files with the Rust implementation

---
 test/files/Example_Processed.img.mzpeak       | Bin 261169 -> 281503 bytes
 test/files/has_uv.mzpeak                      | Bin 531079 -> 595577 bytes
 test/files/small.chunked.mzpeak               | Bin 2318486 -> 2333593 bytes
 .../small.dir/chromatograms_data.parquet      | Bin 10580 -> 10580 bytes
 .../small.dir/chromatograms_metadata.parquet  | Bin 22944 -> 10864 bytes
 .../chromatograms_metadata_precursors.parquet | Bin 0 -> 2759 bytes
 ...romatograms_metadata_selected_ions.parquet | Bin 0 -> 1806 bytes
 test/files/small.dir/mzpeak_index.json        | 527 +++++++++++++-----
 test/files/small.dir/spectra_data.parquet     | Bin 1683335 -> 1683335 bytes
 test/files/small.dir/spectra_metadata.parquet | Bin 48083 -> 22259 bytes
 .../spectra_metadata_precursors.parquet       | Bin 0 -> 13544 bytes
 .../small.dir/spectra_metadata_scans.parquet  | Bin 0 -> 16124 bytes
 .../spectra_metadata_selected_ions.parquet    | Bin 0 -> 10597 bytes
 test/files/small.mzpeak                       | Bin 2040563 -> 2055616 bytes
 test/files/small.numpress.mzpeak              | Bin 845893 -> 861217 bytes
 15 files changed, 393 insertions(+), 134 deletions(-)
 create mode 100644 test/files/small.dir/chromatograms_metadata_precursors.parquet
 create mode 100644 test/files/small.dir/chromatograms_metadata_selected_ions.parquet
 create mode 100644 test/files/small.dir/spectra_metadata_precursors.parquet
 create mode 100644 test/files/small.dir/spectra_metadata_scans.parquet
 create mode 100644 test/files/small.dir/spectra_metadata_selected_ions.parquet

diff --git a/test/files/Example_Processed.img.mzpeak b/test/files/Example_Processed.img.mzpeak
index 6033462e6707c324f2fdc28e282ad849fca2b76b..3b348f30b171020b23f2a6f3679b96a4dc95f239 100644
GIT binary patch
delta 15036
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diff --git a/test/files/has_uv.mzpeak b/test/files/has_uv.mzpeak
index eb3e531f4c1efd7dbffb2a55ccf1814680f0b3a7..7550dec28d3e348db795b4107d689fad52050bf6 100644
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diff --git a/test/files/small.chunked.mzpeak b/test/files/small.chunked.mzpeak
index 4d70e92ea9f81831b7615f3a53fbe82bbc20ba30..53b002ede570db53dffc76bab54d6a7902c52e0e 100644
GIT binary patch
delta 27452
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diff --git a/test/files/small.dir/chromatograms_data.parquet b/test/files/small.dir/chromatograms_data.parquet
index 1716b16b6a39c20458141a9c396cffaf16bb9549..614135b8b068748b4a36835617892ba0e4cacc48 100644
GIT binary patch
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delta 24
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diff --git a/test/files/small.dir/chromatograms_metadata.parquet b/test/files/small.dir/chromatograms_metadata.parquet
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diff --git a/test/files/small.dir/mzpeak_index.json b/test/files/small.dir/mzpeak_index.json
index 6663228..c2959fd 100644
--- a/test/files/small.dir/mzpeak_index.json
+++ b/test/files/small.dir/mzpeak_index.json
@@ -3,31 +3,400 @@
     {
       "name": "spectra_data.parquet",
       "entity_type": "spectrum",
-      "data_kind": "data arrays"
+      "data_kind": "data_arrays",
+      "column_mapping": [],
+      "parameters": []
     },
     {
       "name": "spectra_peaks.parquet",
       "entity_type": "spectrum",
-      "data_kind": "peaks"
+      "data_kind": "peaks",
+      "column_mapping": [],
+      "parameters": []
     },
     {
       "name": "spectra_metadata.parquet",
       "entity_type": "spectrum",
-      "data_kind": "metadata"
+      "data_kind": "metadata",
+      "column_mapping": [
+        {
+          "name": "ms level",
+          "path": "ms_level",
+          "accession": "MS:1000511",
+          "unit": null
+        },
+        {
+          "name": "scan polarity",
+          "path": "scan_polarity",
+          "accession": "MS:1000465",
+          "unit": null
+        },
+        {
+          "name": "spectrum representation",
+          "path": "spectrum_representation",
+          "accession": "MS:1000525",
+          "unit": null
+        },
+        {
+          "name": "spectrum type",
+          "path": "spectrum_type",
+          "accession": "MS:1000559",
+          "unit": null
+        },
+        {
+          "name": "lowest observed m/z",
+          "path": "lowest_observed_mz",
+          "accession": "MS:1000528",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "highest observed m/z",
+          "path": "highest_observed_mz",
+          "accession": "MS:1000527",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "number of data points",
+          "path": "number_of_data_points",
+          "accession": "MS:1003060",
+          "unit": null
+        },
+        {
+          "name": "number of peaks",
+          "path": "number_of_peaks",
+          "accession": "MS:1003059",
+          "unit": null
+        },
+        {
+          "name": "base peak m/z",
+          "path": "base_peak_mz",
+          "accession": "MS:1000504",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "base peak intensity",
+          "path": "base_peak_intensity",
+          "accession": "MS:1000505",
+          "unit": "MS:1000131"
+        },
+        {
+          "name": "total ion current",
+          "path": "total_ion_current",
+          "accession": "MS:1000285",
+          "unit": "MS:1000131"
+        }
+      ],
+      "parameters": []
+    },
+    {
+      "name": "spectra_metadata_scans.parquet",
+      "entity_type": "spectrum",
+      "data_kind": "scans",
+      "column_mapping": [
+        {
+          "name": "scan start time",
+          "path": "scan_start_time",
+          "accession": "MS:1000016",
+          "unit": "UO:0000031"
+        },
+        {
+          "name": "preset scan configuration",
+          "path": "preset_scan_configuration",
+          "accession": "MS:1000616",
+          "unit": null
+        },
+        {
+          "name": "filter string",
+          "path": "filter_string",
+          "accession": "MS:1000512",
+          "unit": null
+        },
+        {
+          "name": "ion injection time",
+          "path": "ion_injection_time",
+          "accession": "MS:1000927",
+          "unit": "UO:0000028"
+        },
+        {
+          "name": "scan window lower limit",
+          "path": "scan_windows.scan_window_lower_limit",
+          "accession": "MS:1000501",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "scan window upper limit",
+          "path": "scan_windows.scan_window_upper_limit",
+          "accession": "MS:1000500",
+          "unit": "MS:1000040"
+        }
+      ],
+      "parameters": []
+    },
+    {
+      "name": "spectra_metadata_precursors.parquet",
+      "entity_type": "spectrum",
+      "data_kind": "precursors",
+      "column_mapping": [
+        {
+          "name": "isolation window target m/z",
+          "path": "isolation_window.isolation_window_target",
+          "accession": "MS:1000827",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "isolation window lower offset",
+          "path": "isolation_window.isolation_window_lower_offset",
+          "accession": "MS:1000828",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "isolation window upper offset",
+          "path": "isolation_window.isolation_window_upper_offset",
+          "accession": "MS:1000829",
+          "unit": "MS:1000040"
+        }
+      ],
+      "parameters": []
+    },
+    {
+      "name": "spectra_metadata_selected_ions.parquet",
+      "entity_type": "spectrum",
+      "data_kind": "selected_ions",
+      "column_mapping": [
+        {
+          "name": "selected ion m/z",
+          "path": "selected_ion_mz",
+          "accession": "MS:1000744",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "charge state",
+          "path": "charge_state",
+          "accession": "MS:1000041",
+          "unit": null
+        },
+        {
+          "name": "intensity",
+          "path": "peak_intensity",
+          "accession": "MS:1000042",
+          "unit": "MS:1000131"
+        }
+      ],
+      "parameters": []
     },
     {
       "name": "chromatograms_metadata.parquet",
       "entity_type": "chromatogram",
-      "data_kind": "metadata"
+      "data_kind": "metadata",
+      "column_mapping": [
+        {
+          "name": "scan polarity",
+          "path": "scan_polarity",
+          "accession": "MS:1000465",
+          "unit": null
+        },
+        {
+          "name": "chromatogram type",
+          "path": "chromatogram_type",
+          "accession": "MS:1000626",
+          "unit": null
+        },
+        {
+          "name": "number of data points",
+          "path": "number_of_data_points",
+          "accession": "MS:1003060",
+          "unit": null
+        }
+      ],
+      "parameters": []
+    },
+    {
+      "name": "chromatograms_metadata_precursors.parquet",
+      "entity_type": "chromatogram",
+      "data_kind": "precursors",
+      "column_mapping": [
+        {
+          "name": "isolation window target m/z",
+          "path": "isolation_window.isolation_window_target",
+          "accession": "MS:1000827",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "isolation window lower offset",
+          "path": "isolation_window.isolation_window_lower_offset",
+          "accession": "MS:1000828",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "isolation window upper offset",
+          "path": "isolation_window.isolation_window_upper_offset",
+          "accession": "MS:1000829",
+          "unit": "MS:1000040"
+        }
+      ],
+      "parameters": []
+    },
+    {
+      "name": "chromatograms_metadata_selected_ions.parquet",
+      "entity_type": "chromatogram",
+      "data_kind": "selected_ions",
+      "column_mapping": [
+        {
+          "name": "selected ion m/z",
+          "path": "selected_ion_mz",
+          "accession": "MS:1000744",
+          "unit": "MS:1000040"
+        },
+        {
+          "name": "charge state",
+          "path": "charge_state",
+          "accession": "MS:1000041",
+          "unit": null
+        },
+        {
+          "name": "intensity",
+          "path": "peak_intensity",
+          "accession": "MS:1000042",
+          "unit": "MS:1000131"
+        }
+      ],
+      "parameters": []
     },
     {
       "name": "chromatograms_data.parquet",
       "entity_type": "chromatogram",
-      "data_kind": "data arrays"
+      "data_kind": "data_arrays",
+      "column_mapping": [],
+      "parameters": []
     }
   ],
   "metadata": {
     "scan_settings_list": [],
+    "version": "0.9.0",
+    "data_processing_method_list": [
+      {
+        "id": "pwiz_Reader_Thermo_conversion",
+        "methods": [
+          {
+            "order": 0,
+            "parameters": [
+              {
+                "accession": "MS:1000544",
+                "name": "Conversion to mzML",
+                "unit": null,
+                "value": null
+              }
+            ],
+            "software_reference": "pwiz"
+          }
+        ]
+      },
+      {
+        "id": "mzpeak_conversion1",
+        "methods": [
+          {
+            "order": 1,
+            "parameters": [
+              {
+                "accession": null,
+                "name": "conversion options",
+                "unit": null,
+                "value": "-y -z -u small.mzML -o small.mzpeak"
+              }
+            ],
+            "software_reference": "mzpeak_prototyping_convert1"
+          }
+        ]
+      }
+    ],
+    "file_description": {
+      "contents": [
+        {
+          "accession": "MS:1000579",
+          "name": "MS1 spectrum",
+          "unit": null,
+          "value": null
+        },
+        {
+          "accession": "MS:1000580",
+          "name": "MSn spectrum",
+          "unit": null,
+          "value": null
+        }
+      ],
+      "source_files": [
+        {
+          "id": "RAW1",
+          "location": "file:///C:\\Users\\Joshua\\Dev\\learn-rust\\ffirawfilereader\\tests\\data",
+          "name": "small.RAW",
+          "parameters": [
+            {
+              "accession": "MS:1000569",
+              "name": "SHA-1",
+              "unit": null,
+              "value": "b43e9286b40e8b5dbc0dfa2e428495769ca96a96"
+            },
+            {
+              "accession": "MS:1000563",
+              "name": "Thermo RAW format",
+              "unit": null,
+              "value": null
+            },
+            {
+              "accession": "MS:1000768",
+              "name": "Thermo nativeID format",
+              "unit": null,
+              "value": null
+            }
+          ]
+        }
+      ]
+    },
+    "software_list": [
+      {
+        "id": "Xcalibur",
+        "parameters": [
+          {
+            "accession": "MS:1000532",
+            "name": "Xcalibur",
+            "unit": null,
+            "value": null
+          }
+        ],
+        "version": "1.1 Beta 7"
+      },
+      {
+        "id": "pwiz",
+        "parameters": [
+          {
+            "accession": "MS:1000615",
+            "name": "ProteoWizard software",
+            "unit": null,
+            "value": null
+          }
+        ],
+        "version": "3.0.23307"
+      },
+      {
+        "id": "mzpeak_prototyping_convert1",
+        "parameters": [
+          {
+            "accession": "MS:1000799",
+            "name": "custom unreleased software tool",
+            "unit": null,
+            "value": "mzpeak_prototyping_convert"
+          }
+        ],
+        "version": "0.1.0"
+      }
+    ],
+    "run": {
+      "default_data_processing_id": "pwiz_Reader_Thermo_conversion",
+      "default_instrument_id": 0,
+      "default_source_file_id": "RAW1",
+      "id": "small",
+      "start_time": "2005-07-20T19:44:22Z"
+    },
     "instrument_configuration_list": [
       {
         "components": [
@@ -54,8 +423,8 @@
             "order": 2,
             "parameters": [
               {
-                "accession": "MS:1000079",
-                "name": "fourier transform ion cyclotron resonance mass spectrometer",
+                "accession": "MS:1000083",
+                "name": "radial ejection linear ion trap",
                 "unit": null,
                 "value": null
               }
@@ -66,15 +435,15 @@
             "order": 3,
             "parameters": [
               {
-                "accession": "MS:1000624",
-                "name": "inductive detector",
+                "accession": "MS:1000253",
+                "name": "electron multiplier",
                 "unit": null,
                 "value": null
               }
             ]
           }
         ],
-        "id": 0,
+        "id": 1,
         "parameters": [
           {
             "accession": "MS:1000448",
@@ -116,8 +485,8 @@
             "order": 2,
             "parameters": [
               {
-                "accession": "MS:1000083",
-                "name": "radial ejection linear ion trap",
+                "accession": "MS:1000079",
+                "name": "fourier transform ion cyclotron resonance mass spectrometer",
                 "unit": null,
                 "value": null
               }
@@ -128,15 +497,15 @@
             "order": 3,
             "parameters": [
               {
-                "accession": "MS:1000253",
-                "name": "electron multiplier",
+                "accession": "MS:1000624",
+                "name": "inductive detector",
                 "unit": null,
                 "value": null
               }
             ]
           }
         ],
-        "id": 1,
+        "id": 0,
         "parameters": [
           {
             "accession": "MS:1000448",
@@ -154,92 +523,20 @@
         "software_reference": "Xcalibur"
       }
     ],
-    "run": {
-      "default_data_processing_id": "pwiz_Reader_Thermo_conversion",
-      "default_instrument_id": 0,
-      "default_source_file_id": "RAW1",
-      "id": "small",
-      "start_time": "2005-07-20T19:44:22Z"
-    },
-    "data_processing_method_list": [
+    "cv_list": [
       {
-        "id": "pwiz_Reader_Thermo_conversion",
-        "methods": [
-          {
-            "order": 0,
-            "parameters": [
-              {
-                "accession": "MS:1000544",
-                "name": "Conversion to mzML",
-                "unit": null,
-                "value": null
-              }
-            ],
-            "software_reference": "pwiz"
-          }
-        ]
+        "full_name": "Proteomics Standards Initiative Mass Spectrometry Ontology",
+        "id": "MS",
+        "uri": "http://purl.obolibrary.org/obo/ms/4.1.249/psi-ms.obo",
+        "version": "4.1.249"
       },
       {
-        "id": "mzpeak_conversion1",
-        "methods": [
-          {
-            "order": 1,
-            "parameters": [
-              {
-                "accession": null,
-                "name": "conversion options",
-                "unit": null,
-                "value": "-y -z -u small.mzML -o small.mzpeak"
-              }
-            ],
-            "software_reference": "mzpeak_prototyping_convert1"
-          }
-        ]
+        "full_name": "Units of measurement ontology",
+        "id": "UO",
+        "uri": "http://purl.obolibrary.org/obo/uo/releases/2026-01-16/uo.obo",
+        "version": "2026-01-16"
       }
     ],
-    "file_description": {
-      "contents": [
-        {
-          "accession": "MS:1000579",
-          "name": "MS1 spectrum",
-          "unit": null,
-          "value": null
-        },
-        {
-          "accession": "MS:1000580",
-          "name": "MSn spectrum",
-          "unit": null,
-          "value": null
-        }
-      ],
-      "source_files": [
-        {
-          "id": "RAW1",
-          "location": "file:///C:\\Users\\Joshua\\Dev\\learn-rust\\ffirawfilereader\\tests\\data",
-          "name": "small.RAW",
-          "parameters": [
-            {
-              "accession": "MS:1000569",
-              "name": "SHA-1",
-              "unit": null,
-              "value": "b43e9286b40e8b5dbc0dfa2e428495769ca96a96"
-            },
-            {
-              "accession": "MS:1000563",
-              "name": "Thermo RAW format",
-              "unit": null,
-              "value": null
-            },
-            {
-              "accession": "MS:1000768",
-              "name": "Thermo nativeID format",
-              "unit": null,
-              "value": null
-            }
-          ]
-        }
-      ]
-    },
     "sample_list": [
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@@ -253,44 +550,6 @@
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         ]
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-    ],
-    "software_list": [
-      {
-        "id": "Xcalibur",
-        "parameters": [
-          {
-            "accession": "MS:1000532",
-            "name": "Xcalibur",
-            "unit": null,
-            "value": null
-          }
-        ],
-        "version": "1.1 Beta 7"
-      },
-      {
-        "id": "pwiz",
-        "parameters": [
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-            "name": "ProteoWizard software",
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-        ],
-        "version": "3.0.23307"
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-      {
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-        "parameters": [
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-            "accession": "MS:1000799",
-            "name": "custom unreleased software tool",
-            "unit": null,
-            "value": "mzpeak_prototyping_convert"
-          }
-        ],
-        "version": "0.1.0"
-      }
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diff --git a/test/files/small.mzpeak b/test/files/small.mzpeak
index 859d5b86e4384f51d0ae55c99a0238ad52e971fa..23363b70c84fd3d15b86a8909fb31a39b45deb7b 100644
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diff --git a/test/files/small.numpress.mzpeak b/test/files/small.numpress.mzpeak
index 6cdfcddbb69c7202ce1be4e39fd8e0f064d36429..68119c4e3699010b2b86703015ec33c80104d868 100644
GIT binary patch
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zT43Pl^d%5k&FI@?Z%$wc`RiV0k=EV-ap*b|tzDWEM;fn#_gM_FL=6d^<oI<)r*0-+
zzYNfSxz0>gXOXerF!R-BlJO1vU9Kjw>J4UMV2%U&iMfg_%m+R@zF~CQyqqL*=o`kQ
zb>zp8*xhU#$=u2YYwKdg26pzv2n`G--Ns6}a-Eo)CI$%X4j5S6d2g~@Ie$<rCzkFI
ziOzy9@PkQ?Y5B3VWhbRVFa}XQfE^{hkQPoB5q6S4Y$cVal<{|$QbzuJJG}Yfhmyde
zkAQjdH?t*byJyl@0H=D!<|E&0|J%P{Z_lTHeQ(LA&o_{Nxy()-tqP})?^LRAa``gb
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zMw7393$ISUX93IX&zd~uh?W$EjftRd?%qGhjCq^g9~L;K(r^Eec1(?Se|qScKs8ys
zi1pV!l9Q>{%+-4S6-1()GA0}Uk|4>SGA7^shXeOc8I!oc{f7eu6_fy&-X{GS#R&K_
ziqdDtV}FVx&S_(!BHd|kJ`u=@>0>5qK75v}nLcL01Nc`9(QXptI1k9P@3N|<KKc@P
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From e1b180dc98a41906a3075f48df71c628e21b1dfb Mon Sep 17 00:00:00 2001
From: "Peter J. Jones" <peter@jonesbunch.com>
Date: Wed, 5 Aug 2026 09:22:58 +0200
Subject: [PATCH 2/7] schema: Add support for top-level columns that are not in
 a group

---
 include/mzpeak/schema/group.h | 32 +++++++++----
 src/metadata/spectrum.cpp     |  2 +-
 src/schema/group.cpp          | 86 +++++++++++++++++++----------------
 src/util/executor.cpp         | 17 ++++---
 src/util/parquet.cpp          | 10 ++--
 src/util/query.cpp            |  4 +-
 test/executor_test.cpp        |  4 +-
 test/group_test.cpp           | 39 +---------------
 test/planner_test.cpp         | 43 ++----------------
 9 files changed, 98 insertions(+), 139 deletions(-)

diff --git a/include/mzpeak/schema/group.h b/include/mzpeak/schema/group.h
index 5617752..c6a2e14 100644
--- a/include/mzpeak/schema/group.h
+++ b/include/mzpeak/schema/group.h
@@ -18,6 +18,7 @@ top-level directory of this repository.
 
 // Forward declarations.
 namespace parquet::schema {
+class Node;
 class GroupNode;
 } // namespace parquet::schema
 
@@ -87,16 +88,10 @@ class Group final {
      */
     index_type absolute_index() const;
 
-    /**
-     * The name of this field using underscores to replace spaces and
-     * other special characters.
-     */
-    const std::string& name() const;
-
     /**
      * The name of this field as recognized by parquet.
      */
-    const std::string& schema_name() const;
+    const std::string& name() const;
 
     /**
      * The structural type this field represents.
@@ -129,7 +124,6 @@ class Group final {
     index_type rel_index_;
     index_type abs_index_;
     std::string schema_name_;
-    std::string clean_name_;
     std::optional<CVType> cv_type_;
     std::optional<CVUnit> cv_unit_;
     std::optional<Util::Type> type_;
@@ -140,6 +134,10 @@ class Group final {
   /// Fields are stored in a map for quick look-up using their name.
   using field_map_t = std::map<std::string, std::shared_ptr<Field>>;
 
+  /// Constructor for the root group to hold all of the top-level
+  /// columns that are not in a separate struct/group.
+  explicit Group(const parquet::schema::GroupNode&);
+
   /// Constructor from a parquet schema descriptor.
   explicit Group(const parquet::schema::GroupNode&,
                  index_type index,
@@ -176,8 +174,26 @@ class Group final {
    */
   const field_map_t& fields() const;
 
+  /**
+   * Return true if this is the root group.
+   *
+   * There is only one root group and its fields represent the
+   * top-level columns that are not themselves members of a group or
+   * struct.
+   */
+  bool is_root() const;
+
+  /**
+   * Return a schema path to the given field.  Mostly useful for error
+   * messages.
+   */
+  std::string path(const Field&) const;
+
 private:
+  void make_fields(const parquet::schema::GroupNode& node, index_type offset);
+
   std::string name_;
+  bool is_root_;
   index_type index_;
   field_map_t fields_;
 };
diff --git a/src/metadata/spectrum.cpp b/src/metadata/spectrum.cpp
index 007671a..07349c6 100644
--- a/src/metadata/spectrum.cpp
+++ b/src/metadata/spectrum.cpp
@@ -23,7 +23,7 @@ using namespace MzPeak::Util;
 /******************************************************************************/
 Spectrum::Spectrum(std::shared_ptr<Table> table, uint64_t index)
     : table_(std::move(table))
-    , group_(table_ == nullptr ? nullptr : table_->group("spectrum"))
+    , group_(table_ == nullptr ? nullptr : table_->group("root"))
     , index_(index)
     , ms_level_()
     , delta_model_()
diff --git a/src/schema/group.cpp b/src/schema/group.cpp
index f14b2ff..061db07 100644
--- a/src/schema/group.cpp
+++ b/src/schema/group.cpp
@@ -78,37 +78,10 @@ Group::Field::Field(const std::string_view& column_name,
     : rel_index_(rel_index)
     , abs_index_(abs_index)
     , schema_name_(column_name)
-    , clean_name_(column_name)
     , cv_type_()
     , cv_unit_()
     , type_()
 {
-  using std::operator""sv;
-
-  auto tokens = column_name | std::views::split("_"sv) |
-                std::ranges::to<std::vector<std::string>>();
-
-  if (tokens.size() < 3) {
-    return;
-  }
-
-  auto name_begin = tokens.begin();
-  auto name_end = tokens.end();
-
-  if (*name_begin == "MS" || *name_begin == "UO") {
-    cv_type_ = CVType(*name_begin, *(name_begin + 1));
-    name_begin += 2;
-  }
-
-  auto unit = std::ranges::find_last(name_begin, name_end, "unit"sv);
-
-  if (unit.begin() != name_begin && unit.begin() != name_end &&
-      std::ranges::distance(unit.begin(), name_end) == 3) {
-    cv_unit_ = CVUnit(*(unit.begin() + 1), *(unit.begin() + 2));
-    name_end = unit.begin();
-  }
-
-  clean_name_ = join_(name_begin, name_end);
 }
 
 /******************************************************************************/
@@ -118,10 +91,7 @@ Group::index_type Group::Field::relative_index() const { return rel_index_; }
 Group::index_type Group::Field::absolute_index() const { return abs_index_; }
 
 /******************************************************************************/
-const std::string& Group::Field::name() const { return clean_name_; }
-
-/******************************************************************************/
-const std::string& Group::Field::schema_name() const { return schema_name_; }
+const std::string& Group::Field::name() const { return schema_name_; }
 
 /******************************************************************************/
 Group::Field::Kind Group::Field::kind() const { return kind_; }
@@ -144,37 +114,60 @@ const std::optional<Util::Type>& Group::Field::type() const { return type_; }
 /******************************************************************************/
 void Group::Field::type(Util::Type type) { type_ = type; }
 
+/******************************************************************************/
+Group::Group(const parquet::schema::GroupNode& node)
+    : name_("root")
+    , is_root_(true)
+    , index_(0)
+    , fields_()
+{
+  // This is the root group so only collect non-group top-level columns.
+  make_fields(node, 0);
+}
+
 /******************************************************************************/
 Group::Group(const parquet::schema::GroupNode& node,
              index_type index,
              index_type offset)
     : name_(node.name())
+    , is_root_(false)
     , index_(index)
     , fields_()
+{
+  make_fields(node, offset);
+}
+
+/******************************************************************************/
+void Group::make_fields(const parquet::schema::GroupNode& node, index_type offset)
 {
   for (index_type i : std::views::iota(0, node.field_count())) {
     auto child = node.field(i);
 
-    std::shared_ptr<Field> field =
-        std::make_shared<Field>(child->name(), i, offset + i);
-
     if (child->is_primitive()) {
+      std::shared_ptr<Field> field =
+          std::make_shared<Field>(child->name(), i, offset + i);
+      fields_[field->name()] = field;
+
       auto prim = std::static_pointer_cast<parquet::schema::PrimitiveNode>(child);
       field->kind_ = Field::Kind::Scalar;
       field->type_ = Util::type_from_parquet(*prim);
-    } else {
+    } else if (child->is_group()) {
       auto grp = std::static_pointer_cast<parquet::schema::GroupNode>(child);
 
-      if (field->name() == "parameters" && grp->logical_type()->is_list()) {
-        field->kind_ = Group::Field::Kind::Params;
-      } else {
+      if (grp->field_count() == 1) {
+        std::shared_ptr<Field> field =
+            std::make_shared<Field>(grp->name(), i, offset + i);
+        fields_[field->name()] = field;
+
         auto grp_type = field_type_from_parquet(grp);
         field->kind_ = grp_type.first;
         field->type_ = grp_type.second;
+
+        if (field->name() == "parameters") {
+          field->kind_ = Group::Field::Kind::Params;
+        }
       }
     }
-
-    fields_[field->name()] = field;
   }
 }
 
@@ -218,4 +211,17 @@ Group::field(const CVType&& cvt) const
 /******************************************************************************/
 const Group::field_map_t& Group::fields() const { return fields_; }
 
+/******************************************************************************/
+bool Group::is_root() const { return is_root_; }
+
+/******************************************************************************/
+std::string Group::path(const Field& field) const
+{
+  if (is_root_) {
+    return field.name();
+  } else {
+    return name() + "." + field.name();
+  }
+}
+
 } // namespace MzPeak::Schema
diff --git a/src/util/executor.cpp b/src/util/executor.cpp
index d4344f5..7c3298b 100644
--- a/src/util/executor.cpp
+++ b/src/util/executor.cpp
@@ -119,14 +119,17 @@ std::shared_ptr<arrow::Array>
 Executor::Impl::array(std::shared_ptr<arrow::RecordBatch>& batch,
                       const Schema::Column& field)
 {
-  std::shared_ptr<arrow::Array> col(batch->column(field.first->index()));
-
-  if (col && col->type_id() == arrow::Type::STRUCT) {
-    auto sa = std::static_pointer_cast<arrow::StructArray>(col);
-    return sa->field(field.second->relative_index());
+  if (field.first->is_root()) {
+    return batch->column(field.second->absolute_index());
   } else {
-    throw ParquetError("column not in batch: " + field.first->name() + "." +
-                       field.second->name());
+    std::shared_ptr<arrow::Array> col(batch->column(field.first->index()));
+
+    if (col && col->type_id() == arrow::Type::STRUCT) {
+      auto sa = std::static_pointer_cast<arrow::StructArray>(col);
+      return sa->field(field.second->relative_index());
+    } else {
+      throw ParquetError("column not in batch: " + field.first->path(*field.second));
+    }
   }
 }
 
diff --git a/src/util/parquet.cpp b/src/util/parquet.cpp
index 8f5c44b..962b726 100644
--- a/src/util/parquet.cpp
+++ b/src/util/parquet.cpp
@@ -106,12 +106,16 @@ void Parquet::Impl::parse_schema()
   auto root = fmd->schema()->group_node();
   int32_t offset = 0;
 
+  std::shared_ptr<Schema::Group> root_group = std::make_shared<Schema::Group>(*root);
+
+  if (!root_group->fields().empty()) {
+    (*groups_)[root_group->name()] = root_group;
+  }
+
   for (int32_t i : std::views::iota(0, root->field_count())) {
     auto node = root->field(i);
 
-    // TODO: Should we emit a warning if there is a top-level
-    // primitive column?
-    if (node->is_group()) {
+    if (node->is_group() && !node->logical_type()->is_list()) {
       std::shared_ptr<parquet::schema::GroupNode> group =
           std::static_pointer_cast<parquet::schema::GroupNode>(node);
 
diff --git a/src/util/query.cpp b/src/util/query.cpp
index a1d023d..e3fa539 100644
--- a/src/util/query.cpp
+++ b/src/util/query.cpp
@@ -62,7 +62,7 @@ Query Query::Builder::validate(Query::Predicate&& p) const
 {
   if (!p.dest.second->type().has_value()) {
     std::string msg("cannot query field with unknown type: ");
-    msg += p.dest.first->name() + "." + p.dest.second->name();
+    msg += p.dest.first->path(*p.dest.second);
     throw TypeError(msg);
   }
 
@@ -239,7 +239,7 @@ Trampoline<Query::Result<bool>> EvalHelper<Fn, V>::eval(const Query& query,
         if constexpr (std::is_same_v<T, Query::Predicate>) {
           if (!tree.dest.second->type().has_value()) {
             std::string msg("invalid query on field with unknown data type: ");
-            msg += tree.dest.first->name() + "." + tree.dest.second->name();
+            msg += tree.dest.first->path(*tree.dest.second);
             throw TypeError(msg);
           }
 
diff --git a/test/executor_test.cpp b/test/executor_test.cpp
index 248c850..9fc9d10 100644
--- a/test/executor_test.cpp
+++ b/test/executor_test.cpp
@@ -71,10 +71,10 @@ BOOST_AUTO_TEST_CASE(can_read_uint8_t)
 
   auto parquet = index.parquet(*entry);
 
-  auto index_field = parquet->field("spectrum", "index");
+  auto index_field = parquet->field("root", "index");
   BOOST_TEST(index_field.has_value());
 
-  auto ms_level = parquet->field("spectrum", "ms_level");
+  auto ms_level = parquet->field("root", "ms_level");
   BOOST_TEST(ms_level.has_value());
 
   auto query = Util::Query::Builder(*index_field).eq<uint64_t>(0ul);
diff --git a/test/group_test.cpp b/test/group_test.cpp
index bc7752b..294fb4a 100644
--- a/test/group_test.cpp
+++ b/test/group_test.cpp
@@ -10,43 +10,8 @@ top-level directory of this repository.
 #include <boost/test/included/unit_test.hpp>
 
 #include "mzpeak/open.h"
-#include "mzpeak/schema/group.h"
 #include "mzpeak/util/parquet.h"
 
-/******************************************************************************/
-BOOST_AUTO_TEST_CASE(can_parse_column_names)
-{
-  using namespace MzPeak::Schema;
-
-  // All components.
-  Group::Field a("MS_1000528_lowest_observed_mz_unit_MS_1000040", 0, 2);
-  BOOST_TEST(a.relative_index() == 0);
-  BOOST_TEST(a.absolute_index() == 2);
-  BOOST_TEST(a.name() == "lowest_observed_mz");
-
-  BOOST_TEST(a.cv_type().has_value());
-  BOOST_TEST((a.cv_type()->code() == "MS"));
-  BOOST_TEST((a.cv_type()->accession() == "1000528"));
-  BOOST_TEST((a.cv_type()->to_string() == "MS:1000528"));
-
-  BOOST_TEST((a.cv_unit().has_value()));
-  BOOST_TEST((a.cv_unit().has_value() && a.cv_unit()->code() == "MS"));
-  BOOST_TEST((a.cv_unit()->accession() == "1000040"));
-
-  // No unit.
-  Group::Field b("MS_1000016_scan_start_time", 0, 0);
-  BOOST_TEST(b.name() == "scan_start_time");
-  BOOST_TEST((b.cv_type().has_value() && b.cv_type()->code() == "MS"));
-  BOOST_TEST((b.cv_type().has_value() && b.cv_type()->accession() == "1000016"));
-  BOOST_TEST((!b.cv_unit().has_value()));
-
-  // Nmae only.
-  Group::Field c("mz", 0, 0);
-  BOOST_TEST(c.name() == "mz");
-  BOOST_TEST(!c.cv_type().has_value());
-  BOOST_TEST(!c.cv_unit().has_value());
-}
-
 /******************************************************************************/
 BOOST_AUTO_TEST_CASE(can_load_all_groups)
 {
@@ -61,9 +26,9 @@ BOOST_AUTO_TEST_CASE(can_load_all_groups)
   auto parquet = mzpeak.parquet(*entry);
 
   auto groups = parquet->groups();
-  BOOST_TEST((groups->size() == 4));
+  BOOST_TEST((groups->size() == 1));
 
-  auto spectrum_index = parquet->field("spectrum", "index");
+  auto spectrum_index = parquet->field("root", "index");
   BOOST_TEST(spectrum_index.has_value());
   BOOST_TEST((spectrum_index->second->type().has_value()));
   BOOST_TEST((spectrum_index->second->type().value() == MzPeak::Util::Type::UInt64));
diff --git a/test/planner_test.cpp b/test/planner_test.cpp
index 0d1a412..57f4fe5 100644
--- a/test/planner_test.cpp
+++ b/test/planner_test.cpp
@@ -56,57 +56,22 @@ BOOST_AUTO_TEST_CASE(can_use_two_columns)
   using namespace MzPeak;
   auto index = MzPeak::open("../test/files/small.mzpeak");
 
-  auto entry = std::ranges::find(index.files(), "spectra_metadata.parquet",
+  auto entry = std::ranges::find(index.files(), "spectra_metadata_scans.parquet",
                                  &Schema::File::file_name);
 
   BOOST_TEST((entry != index.files().end()));
 
   auto parquet = index.parquet(*entry);
 
-  auto index_field = parquet->field("scan", "source_index");
+  auto index_field = parquet->field("root", "source_index");
   BOOST_TEST(index_field.has_value());
 
-  auto start_time_field = parquet->field("scan", "scan_start_time");
+  auto start_time_field = parquet->field("root", "scan_start_time");
   BOOST_TEST(start_time_field.has_value());
 
   auto query = Util::Query::Builder(*index_field)
                    .eq<uint64_t>(3)
-                   .and_then(Util::Query::Builder(*start_time_field).gt<float>(0));
-
-  Util::Planner planner = parquet->planner(query);
-
-  auto plan = planner.plan();
-  BOOST_TEST(plan.ranges.size() == 1ul);
-
-  // Ug, this file is too small to exercise the planner.
-  auto first = plan.ranges[0];
-  BOOST_TEST(first.row_group == 0);
-  BOOST_TEST(first.offset == 0);
-  BOOST_TEST(first.length == 48);
-}
-
-/******************************************************************************/
-BOOST_AUTO_TEST_CASE(can_access_multiple_groups)
-{
-  using namespace MzPeak;
-  auto index = MzPeak::open("../test/files/small.mzpeak");
-
-  auto entry = std::ranges::find(index.files(), "spectra_metadata.parquet",
-                                 &Schema::File::file_name);
-
-  BOOST_TEST((entry != index.files().end()));
-
-  auto parquet = index.parquet(*entry);
-
-  auto index_field = parquet->field("scan", "source_index");
-  BOOST_TEST(index_field.has_value());
-
-  auto level_field = parquet->field("spectrum", "ms_level");
-  BOOST_TEST(level_field.has_value());
-
-  auto query = Util::Query::Builder(*index_field)
-                   .eq<uint64_t>(30)
-                   .and_then(Util::Query::Builder(*level_field).ge<uint8_t>(1));
+                   .and_then(Util::Query::Builder(*start_time_field).gt<float>(0.0));
 
   Util::Planner planner = parquet->planner(query);
 

From 96f8943014350fd7db60cd39c26b1e354f953cf1 Mon Sep 17 00:00:00 2001
From: "Peter J. Jones" <peter@jonesbunch.com>
Date: Wed, 5 Aug 2026 13:39:23 +0200
Subject: [PATCH 3/7] transform: Update test to match recent CV term swap

---
 test/array_index_test.cpp | 44 +++++++++++++++++++++++----------------
 1 file changed, 26 insertions(+), 18 deletions(-)

diff --git a/test/array_index_test.cpp b/test/array_index_test.cpp
index 3589bf4..da9eea7 100644
--- a/test/array_index_test.cpp
+++ b/test/array_index_test.cpp
@@ -31,24 +31,32 @@ BOOST_AUTO_TEST_CASE(can_get_array_index)
   BOOST_TEST(index->prefix() == "point");
   BOOST_TEST(index->entries().size() == 2ul);
 
-  std::optional<Schema::CV> transform_cv(Schema::CV::from_string("MS:1003901"));
-  BOOST_TEST((transform_cv.has_value()));
-  std::optional<Schema::PSI::Transform> transform(transform_cv.value());
-
-  // NOTE: Due to a sort after parsing the index, the m/z array gets
-  // moved to the end of the index.
-  BOOST_TEST((index->entries()[1].array_name == "m/z array"));
-  BOOST_TEST((index->entries()[1].buffer_format == Schema::BufferFormat::Point));
-  BOOST_TEST((index->entries()[1].context == Schema::EntityType::Spectrum));
-  BOOST_TEST((index->entries()[1].path == "point.mz"));
-  BOOST_TEST((index->entries()[1].data_type ==
-              Schema::PSI::DataType(Schema::PSI::DataType::Float64)));
-  BOOST_TEST((index->entries()[1].array_type == Schema::PSI::ArrayType::Mz));
-  BOOST_TEST((index->entries()[1].unit == "MS:1000040"));
-  BOOST_TEST((index->entries()[1].buffer_priority));
-  BOOST_TEST((index->entries()[1].sorting_rank == std::optional{0}));
-  BOOST_TEST((index->entries()[1].data_processing_id == std::nullopt));
-  BOOST_TEST((index->entries()[1].transform == transform));
+  const auto mz_it = std::ranges::find(index->entries(), "m/z array",
+                                       &Data::ArrayIndex::Entry::array_name);
+  BOOST_TEST((mz_it != index->entries().end()));
+
+  const std::optional<Schema::PSI::Transform> interpolation(
+      Schema::PSI::Transform::ZeroIntensityInterpolation);
+  const Schema::PSI::DataType f64(Schema::PSI::DataType::Float64);
+
+  BOOST_TEST((mz_it->buffer_format == Schema::BufferFormat::Point));
+  BOOST_TEST((mz_it->context == Schema::EntityType::Spectrum));
+  BOOST_TEST((mz_it->path == "point.mz"));
+  BOOST_TEST((mz_it->data_type == f64));
+  BOOST_TEST((mz_it->array_type == Schema::PSI::ArrayType::Mz));
+  BOOST_TEST((mz_it->unit == "MS:1000040"));
+  BOOST_TEST((mz_it->buffer_priority));
+  BOOST_TEST((mz_it->sorting_rank == std::optional{0}));
+  BOOST_TEST((mz_it->data_processing_id == std::nullopt));
+  BOOST_TEST((mz_it->transform == interpolation));
+
+  const auto intensity_it = std::ranges::find(index->entries(), "intensity array",
+                                              &Data::ArrayIndex::Entry::array_name);
+  BOOST_TEST((intensity_it != index->entries().end()));
+
+  const std::optional<Schema::PSI::Transform> trim(
+      Schema::PSI::Transform::ZeroIntensityTrim);
+  BOOST_TEST((intensity_it->transform == trim));
 
   std::size_t count = index->num_entities().value_or(0);
   BOOST_TEST(count == 48ul);

From 189016544adf93a6e5a0c4695a49c7eb032c415f Mon Sep 17 00:00:00 2001
From: "Peter J. Jones" <peter@jonesbunch.com>
Date: Wed, 5 Aug 2026 16:01:33 +0200
Subject: [PATCH 4/7] refactor: Extract Index::Impl to a new class:
 Util::Manager

Since we need to load metadata Parquet files on demand we need a way
to pass around an object that knows how to do that.  I thought about
doing it with the top-level `Index` class but that would create some
circular dependencies and be a bit messy.
---
 bin/mzp-inspect.cpp                |   5 +-
 include/mzpeak/index.h             |  35 ++++++----
 include/mzpeak/metadata/spectrum.h |  17 +----
 include/mzpeak/spectra.h           |   8 +--
 include/mzpeak/spectrum.h          |  28 ++++----
 include/mzpeak/util/manager.h      |  48 ++++++++++++++
 meson.build                        |   2 +
 src/index.cpp                      | 103 ++++-------------------------
 src/metadata/spectrum.cpp          |  18 ++---
 src/metadata/table.cpp             |   3 +-
 src/spectra.cpp                    |   7 +-
 src/spectrum.cpp                   |  37 ++++++++---
 src/util/manager.cpp               |  81 +++++++++++++++++++++++
 test/array_index_test.cpp          |   5 +-
 test/executor_test.cpp             |   5 +-
 test/group_test.cpp                |   7 +-
 test/index_test.cpp                |   7 +-
 test/parquet_test.cpp              |   3 +-
 test/planner_test.cpp              |   5 +-
 test/spectra_test.cpp              |   2 +
 20 files changed, 247 insertions(+), 179 deletions(-)
 create mode 100644 include/mzpeak/util/manager.h
 create mode 100644 src/util/manager.cpp

diff --git a/bin/mzp-inspect.cpp b/bin/mzp-inspect.cpp
index f2ab8c4..8c894c7 100644
--- a/bin/mzp-inspect.cpp
+++ b/bin/mzp-inspect.cpp
@@ -14,6 +14,7 @@ top-level directory of this repository.
 
 #include "mzpeak.h"
 #include "mzpeak/schema/group.h"
+#include "mzpeak/util/manager.h" // IWYU pragma: keep
 
 /******************************************************************************/
 namespace po = boost::program_options;
@@ -22,14 +23,14 @@ namespace po = boost::program_options;
 std::unique_ptr<MzPeak::Util::Parquet> open_parquet_file(MzPeak::Index& index,
                                                          const std::string& file)
 {
-  auto it = std::ranges::find(index.files(), file, &MzPeak::Schema::File::file_name);
+  auto it = index.find(file);
 
   if (it == index.files().end()) {
     std::println(stderr, "file \"{}\" is not in the mzPeak file index", file);
     return nullptr;
   }
 
-  return index.parquet(*it);
+  return index.manager()->parquet(*it);
 }
 
 /******************************************************************************/
diff --git a/include/mzpeak/index.h b/include/mzpeak/index.h
index b3dc12a..93dfdb8 100644
--- a/include/mzpeak/index.h
+++ b/include/mzpeak/index.h
@@ -8,14 +8,24 @@ directory of this repository.
 
 #pragma once
 
-#include "mzpeak/io/archive.h"
-#include "mzpeak/schema/file.h"
-#include "mzpeak/spectra.h"
-#include "mzpeak/util/parquet.h"
+#include <memory>
+#include <vector>
 
 namespace MzPeak {
 
-// Internal implementation.
+namespace IO {
+class Archive;
+}
+
+namespace Schema {
+class File;
+}
+
+namespace Util {
+class Manager;
+}
+
+class Spectra;
 
 /**
  * Read-only access to the index inside a MzPeak archive.
@@ -25,27 +35,28 @@ class Index {
   /// Constructor.
   Index(std::unique_ptr<MzPeak::IO::Archive>);
 
-  /// Destructor.
-  ~Index();
-
   /**
    * Return a list of files found in the index.
    */
   const std::vector<Schema::File>& files() const;
 
+  /**
+   * Find a file in the mzPeak archive with the given name.
+   */
+  std::vector<Schema::File>::const_iterator find(const std::string_view&) const;
+
   /**
    * Access the spectra in the file.
    */
   Spectra spectra() const;
 
   /**
-   * Open a Parquet file directly.
+   * Access the low-level MzPeak Manager object.
    */
-  std::unique_ptr<Util::Parquet> parquet(const Schema::File&) const;
+  std::shared_ptr<Util::Manager> manager() const;
 
 protected:
-  struct Impl;
-  std::unique_ptr<Impl> impl_;
+  std::shared_ptr<Util::Manager> manager_;
 };
 
 } // namespace MzPeak
diff --git a/include/mzpeak/metadata/spectrum.h b/include/mzpeak/metadata/spectrum.h
index a686c2a..7dcb41b 100644
--- a/include/mzpeak/metadata/spectrum.h
+++ b/include/mzpeak/metadata/spectrum.h
@@ -13,27 +13,18 @@ top-level directory of this repository.
 #include <vector>
 
 namespace MzPeak::Util {
-class Slice;
-}
-
-namespace MzPeak::Schema {
-class Group;
+class Parquet;
 }
 
 namespace MzPeak::Metadata {
 
-class Table;
-
 /**
  * Metadata from the spectrum table.
  */
 class Spectrum final {
 public:
   /// Constructor.
-  Spectrum(std::shared_ptr<Table>, uint64_t);
-
-  /// Destructor.
-  ~Spectrum() = default;
+  Spectrum(std::unique_ptr<Util::Parquet>, uint64_t);
 
   /**
    * Return the spectrum level (MS:1000511).
@@ -50,10 +41,6 @@ class Spectrum final {
   const std::vector<double>& delta_model() const { return delta_model_; }
 
 private:
-  std::shared_ptr<Table> table_;
-  std::shared_ptr<Schema::Group> group_;
-  uint64_t index_;
-
   std::optional<uint8_t> ms_level_;
   std::vector<double> delta_model_;
 };
diff --git a/include/mzpeak/spectra.h b/include/mzpeak/spectra.h
index ddf7f8e..231ceba 100644
--- a/include/mzpeak/spectra.h
+++ b/include/mzpeak/spectra.h
@@ -16,8 +16,8 @@ namespace MzPeak::Data {
 class Signals;
 } // namespace MzPeak::Data
 
-namespace MzPeak::Metadata {
-class Table;
+namespace MzPeak::Util {
+class Manager;
 }
 
 namespace MzPeak {
@@ -28,12 +28,12 @@ namespace MzPeak {
 class Spectra final : public Util::EnumerableProxy<Spectrum> {
 public:
   /// Low-level constructor from a Parquet file.
-  explicit Spectra(std::unique_ptr<Data::Signals>, std::unique_ptr<Metadata::Table>);
+  explicit Spectra(std::unique_ptr<Data::Signals>, std::shared_ptr<Util::Manager>);
 
 private:
   // Internal data access.
   std::shared_ptr<Data::Signals> data_;
-  std::shared_ptr<Metadata::Table> meta_;
+  std::shared_ptr<Util::Manager> manager_;
 
   // Function to fetch a specific spectrum.
   Spectrum fetch(uint64_t);
diff --git a/include/mzpeak/spectrum.h b/include/mzpeak/spectrum.h
index e85dc70..0df37ae 100644
--- a/include/mzpeak/spectrum.h
+++ b/include/mzpeak/spectrum.h
@@ -9,17 +9,21 @@ top-level directory of this repository.
 #pragma once
 
 #include <memory>
+#include <vector>
 
 #include "mzpeak/data/array_index.h"
-#include "mzpeak/data/encoding.h"
-#include "mzpeak/data/signals.h"
-#include "mzpeak/metadata/spectrum.h"
-#include "mzpeak/metadata/table.h"
-#include "mzpeak/util/slice.h"
 
 namespace MzPeak {
 
-// Forward declaration.
+namespace Data {
+class Signals;
+} // namespace Data
+
+namespace Util {
+class Slice;
+class Manager;
+} // namespace Util
+
 class Spectra;
 
 /**
@@ -27,9 +31,6 @@ class Spectra;
  */
 class Spectrum final {
 public:
-  /// The type of decoder used.
-  using decoder_type = Data::Encoding::Decoder<double>;
-
   /// Destructor.
   ~Spectrum() = default;
 
@@ -54,18 +55,17 @@ class Spectrum final {
 
   /// Internal constructor.
   Spectrum(uint64_t index,
+           std::shared_ptr<Util::Manager>,
            std::shared_ptr<Data::Signals>,
            const std::vector<Data::ArrayIndex::Dimension>&,
-           std::unique_ptr<Util::Slice>,
-           std::shared_ptr<Metadata::Table>);
+           std::unique_ptr<Util::Slice>);
 
 private:
   uint64_t index_;
-  std::shared_ptr<Metadata::Table> md_table_;
-  Metadata::Spectrum md_spec_;
-  decoder_type decoder_;
+  std::shared_ptr<Util::Manager> manager_;
   std::vector<double> mz_;
   std::vector<float> intensity_;
+  uint8_t ms_level_;
 };
 
 } // namespace MzPeak
diff --git a/include/mzpeak/util/manager.h b/include/mzpeak/util/manager.h
new file mode 100644
index 0000000..ca88079
--- /dev/null
+++ b/include/mzpeak/util/manager.h
@@ -0,0 +1,48 @@
+/*
+
+This file is part of the mzpeak project.  It is subject to the license
+specified in the LICENSE file which can be found in the top-level
+directory of this repository.
+
+*/
+
+#pragma once
+
+#include <memory>
+
+#include "mzpeak/io/archive.h"
+#include "mzpeak/schema/file.h"
+#include "mzpeak/util/parquet.h"
+
+namespace MzPeak::Util {
+
+/**
+ * FIXME: Write documentation!
+ */
+class Manager final {
+public:
+  /// Constructor.
+  Manager(std::unique_ptr<MzPeak::IO::Archive>);
+
+  /**
+   * Return a vector of files that are located in the mzPeak archive.
+   */
+  const std::vector<Schema::File>& files() const;
+
+  /**
+   * Find a file given its name.
+   */
+  std::vector<Schema::File>::const_iterator
+  find_file(const std::string_view& name) const;
+
+  /**
+   * Open a Parquet file from the mzPeak archive.
+   */
+  std::unique_ptr<Util::Parquet> parquet(const Schema::File&) const;
+
+private:
+  std::shared_ptr<MzPeak::IO::Archive> archive_;
+  std::vector<Schema::File> files_;
+};
+
+} // namespace MzPeak::Util
diff --git a/meson.build b/meson.build
index 59b0653..62a13f7 100644
--- a/meson.build
+++ b/meson.build
@@ -43,6 +43,7 @@ lib_sources = [
   'src/spectrum.cpp',
   'src/util/arrow.cpp',
   'src/util/executor.cpp',
+  'src/util/manager.cpp',
   'src/util/parquet.cpp',
   'src/util/planner.cpp',
   'src/util/projection.cpp',
@@ -85,6 +86,7 @@ install_headers([
   'include/mzpeak/util/delta_estimator.h',
   'include/mzpeak/util/enumerable_proxy.h',
   'include/mzpeak/util/executor.h',
+  'include/mzpeak/util/manager.h',
   'include/mzpeak/util/parquet.h',
   'include/mzpeak/util/planner.h',
   'include/mzpeak/util/projection.h',
diff --git a/src/index.cpp b/src/index.cpp
index db9b02a..9c41888 100644
--- a/src/index.cpp
+++ b/src/index.cpp
@@ -12,122 +12,43 @@ directory of this repository.
 #include "mzpeak/exception.h"
 #include "mzpeak/index.h"
 #include "mzpeak/io/archive.h"
-#include "mzpeak/metadata/table.h"
+#include "mzpeak/spectra.h"
+#include "mzpeak/util/manager.h"
 
-/*
- * Boost JSON:
- *   https://www.boost.org/doc/libs/latest/libs/json/doc/html/index.html
- */
 namespace MzPeak {
 
-/******************************************************************************/
-const static char* INDEX_FILE_NAME = "mzpeak_index.json";
-
-/******************************************************************************/
-namespace json = boost::json;
-
-/******************************************************************************/
-struct Index::Impl {
-
-  /// Constructor.
-  Impl(std::unique_ptr<MzPeak::IO::Archive> archive)
-      : archive_(std::move(archive))
-      , files_()
-  {
-    parse_index();
-  }
-
-  /// Parse the JSON that makes up the MzPeak index.
-  void parse_index();
-
-  // The archive we are reading files out of.
-  std::unique_ptr<MzPeak::IO::Archive> archive_;
-
-  // Parsed file entries.
-  std::vector<Schema::File> files_;
-
-  // Return an iterator to the requested file.
-  std::vector<Schema::File>::const_iterator find_file(const std::string_view& name)
-  {
-    return std::ranges::find(files_, name, &Schema::File::file_name);
-  }
-};
-
 /******************************************************************************/
 Index::Index(std::unique_ptr<MzPeak::IO::Archive> archive)
-    : impl_(std::make_unique<Impl>(std::move(archive)))
+    : manager_(std::make_shared<Util::Manager>(std::move(archive)))
 {
 }
 
 /******************************************************************************/
-Index::~Index() = default;
+const std::vector<Schema::File>& Index::files() const { return manager_->files(); }
 
 /******************************************************************************/
-const std::vector<Schema::File>& Index::files() const { return impl_->files_; }
-
-/******************************************************************************/
-void Index::Impl::parse_index()
+std::vector<Schema::File>::const_iterator
+Index::find(const std::string_view& name) const
 {
-  auto file = archive_->read_file(INDEX_FILE_NAME);
-  uint8_t buffer[64 * 1024];
-  std::optional<std::size_t> bytes;
-
-  json::stream_parser parser;
-  boost::system::error_code ec;
-
-  do {
-    bytes = file->read(buffer, sizeof(buffer));
-
-    if (bytes.has_value() && *bytes > 0) {
-      parser.write(reinterpret_cast<char const*>(buffer), *bytes, ec);
-    }
-
-  } while (bytes.has_value() && !ec);
-
-  if (!ec) parser.finish(ec);
-  if (ec) throw MzPeak::JsonError(ec.message());
-
-  json::value v = parser.release();
-  json::object o = v.as_object();
-
-  if (const auto it = o.find("files"); it != o.end() && it->value().is_array()) {
-    const json::array files(it->value().as_array());
-    files_.reserve(files.size());
-
-    for (const auto& file_obj : files) {
-      if (file_obj.is_object()) {
-        files_.push_back(Schema::File(file_obj.as_object()));
-      }
-    }
-  }
+  return manager_->find_file(name);
 }
 
 /******************************************************************************/
 Spectra Index::spectra() const
 {
-  auto data_it = impl_->find_file("spectra_data.parquet");
-  auto meta_it = impl_->find_file("spectra_metadata.parquet");
+  auto data_it = manager_->find_file("spectra_data.parquet");
 
-  if (data_it == impl_->files_.end()) {
+  if (data_it == manager_->files().end()) {
     throw ParquetError("missing files: spectra_data.parquet");
   }
 
   std::unique_ptr<Data::Signals> data =
-      std::make_unique<Data::Signals>(parquet(*data_it));
-  std::unique_ptr<Metadata::Table> meta = nullptr;
+      std::make_unique<Data::Signals>(manager_->parquet(*data_it));
 
-  if (meta_it != impl_->files_.end()) {
-    meta = std::make_unique<Metadata::Table>(parquet(*meta_it));
-  }
-
-  return Spectra(std::move(data), std::move(meta));
+  return Spectra(std::move(data), manager_);
 }
 
 /******************************************************************************/
-std::unique_ptr<Util::Parquet> Index::parquet(const Schema::File& file) const
-{
-  std::unique_ptr<IO::File> data(impl_->archive_->read_file(file.file_name));
-  return std::make_unique<Util::Parquet>(std::move(data), file);
-}
+std::shared_ptr<Util::Manager> Index::manager() const { return manager_; }
 
 } // namespace MzPeak
diff --git a/src/metadata/spectrum.cpp b/src/metadata/spectrum.cpp
index 07349c6..f7f1e4a 100644
--- a/src/metadata/spectrum.cpp
+++ b/src/metadata/spectrum.cpp
@@ -21,22 +21,18 @@ using namespace MzPeak::Schema;
 using namespace MzPeak::Util;
 
 /******************************************************************************/
-Spectrum::Spectrum(std::shared_ptr<Table> table, uint64_t index)
-    : table_(std::move(table))
-    , group_(table_ == nullptr ? nullptr : table_->group("root"))
-    , index_(index)
-    , ms_level_()
+Spectrum::Spectrum(std::unique_ptr<Util::Parquet> parquet, uint64_t index)
+    : ms_level_()
     , delta_model_()
 {
-  if (table_ == nullptr || group_ == nullptr) {
-    throw ParquetError("metadata file missing or does not have the spectrum group");
-  }
+  Table table(std::move(parquet));
+  std::shared_ptr<Schema::Group> group = table.group("root");
 
   Projection projection;
-  auto level_field = projection.project(group_, Group::CVType("MS", "1000511"));
-  auto delta_field = projection.project(group_, "mz_delta_model");
+  auto level_field = projection.project(group, Group::CVType("MS", "1000511"));
+  auto delta_field = projection.project(group, "mz_delta_model");
 
-  std::unique_ptr<Slice> slice = table_->indexed(index_, group_, projection);
+  std::unique_ptr<Slice> slice = table.indexed(index, group, projection);
 
   if (level_field.has_value()) {
     using ms_level_t = decltype(ms_level_)::value_type;
diff --git a/src/metadata/table.cpp b/src/metadata/table.cpp
index 14a2dd2..cf9dfe2 100644
--- a/src/metadata/table.cpp
+++ b/src/metadata/table.cpp
@@ -56,7 +56,8 @@ std::shared_ptr<Schema::Group> Table::group(const std::string_view& name) const
   auto it = map->find(std::string(name));
 
   if (it == map->end()) {
-    return nullptr;
+    // FIXME: Replace with the InvalidFormat exception.
+    throw ParquetError("schema is missing the " + std::string(name) + " group");
   } else {
     return it->second;
   }
diff --git a/src/spectra.cpp b/src/spectra.cpp
index db8603f..f784038 100644
--- a/src/spectra.cpp
+++ b/src/spectra.cpp
@@ -9,7 +9,6 @@ top-level directory of this repository.
 #include <memory>
 
 #include "mzpeak/data/signals.h"
-#include "mzpeak/metadata/table.h"
 #include "mzpeak/spectra.h"
 #include "mzpeak/spectrum.h"
 #include "mzpeak/util/enumerable_proxy.h"
@@ -18,11 +17,11 @@ namespace MzPeak {
 
 /******************************************************************************/
 Spectra::Spectra(std::unique_ptr<Data::Signals> data,
-                 std::unique_ptr<Metadata::Table> meta)
+                 std::shared_ptr<Util::Manager> manager)
     : EnumerableProxy(
           0, std::bind(std::mem_fn(&Spectra::fetch), this, std::placeholders::_1))
     , data_(std::move(data))
-    , meta_(std::move(meta))
+    , manager_(std::move(manager))
 {
   // Update the record count.
   resize(data_->record_count());
@@ -40,7 +39,7 @@ Spectrum Spectra::fetch(uint64_t index)
       std::ranges::to<std::vector<Data::ArrayIndex::Dimension>>();
 
   std::unique_ptr<Util::Slice> slice = data_->select(dims, data_->index().eq(index));
-  return Spectrum(index, data_, dims, std::move(slice), meta_);
+  return Spectrum(index, manager_, data_, dims, std::move(slice));
 }
 
 } // namespace MzPeak
diff --git a/src/spectrum.cpp b/src/spectrum.cpp
index 0d679bb..1176ffc 100644
--- a/src/spectrum.cpp
+++ b/src/spectrum.cpp
@@ -9,30 +9,47 @@ top-level directory of this repository.
 #include <memory>
 #include <vector>
 
+#include "mzpeak/data/encoding.h"
+#include "mzpeak/metadata/spectrum.h"
 #include "mzpeak/spectrum.h"
+#include "mzpeak/util/manager.h"
 
 namespace MzPeak {
 
+/******************************************************************************/
+const static char* PRIMARY_METADATA_FILE = "spectra_metadata.parquet";
+
 /******************************************************************************/
 Spectrum::Spectrum(uint64_t index,
+                   std::shared_ptr<Util::Manager> manager,
                    std::shared_ptr<Data::Signals> data,
                    const std::vector<Data::ArrayIndex::Dimension>& dims,
-                   std::unique_ptr<Util::Slice> slice,
-                   std::shared_ptr<Metadata::Table> metadata)
+                   std::unique_ptr<Util::Slice> slice)
     : index_(index)
-    , md_table_(std::move(metadata))
-    , md_spec_(md_table_, index_)
-    , decoder_(std::move(data),
-               std::move(slice),
-               Util::DeltaEstimator<double>(md_spec_.delta_model()))
+    , manager_(std::move(manager))
     , mz_()
     , intensity_()
+    , ms_level_(0)
 {
+  auto meta_it = manager_->find_file(PRIMARY_METADATA_FILE);
+
+  if (meta_it == manager_->files().end()) {
+    throw ParquetError("missing necessary mzpeak file: " +
+                       std::string(PRIMARY_METADATA_FILE));
+  }
+
+  Metadata::Spectrum meta(manager_->parquet(*meta_it), index_);
+  ms_level_ = meta.ms_level().value_or(0);
+
+  Data::Encoding::Decoder<double> decoder(
+      std::move(data), std::move(slice),
+      Util::DeltaEstimator<double>(meta.delta_model()));
+
   for (auto& dim : dims) {
     if (dim.array_type == Schema::PSI::ArrayType::Mz) {
-      decoder_.decimal(dim, mz_);
+      decoder.decimal(dim, mz_);
     } else if (dim.array_type == Schema::PSI::ArrayType::Intensity) {
-      decoder_.decimal(dim, intensity_);
+      decoder.decimal(dim, intensity_);
     } else {
       // FIXME: should we throw an exception here?
       continue;
@@ -47,6 +64,6 @@ const std::vector<double>& Spectrum::mz() const { return mz_; }
 const std::vector<float>& Spectrum::intensity() const { return intensity_; }
 
 /******************************************************************************/
-uint8_t Spectrum::ms_level() const { return md_spec_.ms_level().value_or(0u); }
+uint8_t Spectrum::ms_level() const { return ms_level_; }
 
 } // namespace MzPeak
diff --git a/src/util/manager.cpp b/src/util/manager.cpp
new file mode 100644
index 0000000..62e9744
--- /dev/null
+++ b/src/util/manager.cpp
@@ -0,0 +1,81 @@
+/*
+
+This file is part of the mzpeak project.  It is subject to the license
+specified in the LICENSE file which can be found in the top-level
+directory of this repository.
+
+*/
+
+#include "mzpeak/util/manager.h"
+
+namespace MzPeak::Util {
+
+/******************************************************************************/
+const static char* INDEX_FILE_NAME = "mzpeak_index.json";
+
+/******************************************************************************/
+namespace json = boost::json;
+
+/******************************************************************************/
+void parse_index(std::shared_ptr<MzPeak::IO::Archive>& archive,
+                 std::vector<Schema::File>& files)
+{
+  auto file = archive->read_file(INDEX_FILE_NAME);
+  uint8_t buffer[64 * 1024];
+  std::optional<std::size_t> bytes;
+
+  json::stream_parser parser;
+  boost::system::error_code ec;
+
+  do {
+    bytes = file->read(buffer, sizeof(buffer));
+
+    if (bytes.has_value() && *bytes > 0) {
+      parser.write(reinterpret_cast<char const*>(buffer), *bytes, ec);
+    }
+  } while (bytes.has_value() && !ec);
+
+  if (!ec) parser.finish(ec);
+  if (ec) throw MzPeak::JsonError(ec.message());
+
+  json::value v = parser.release();
+  json::object o = v.as_object();
+
+  if (const auto it = o.find("files"); it != o.end() && it->value().is_array()) {
+    const json::array file_list(it->value().as_array());
+    files.reserve(file_list.size());
+
+    for (const auto& file_obj : file_list) {
+      if (file_obj.is_object()) {
+        files.push_back(Schema::File(file_obj.as_object()));
+      }
+    }
+  }
+}
+
+/******************************************************************************/
+Manager::Manager(std::unique_ptr<MzPeak::IO::Archive> archive)
+    : archive_(std::move(archive))
+    , files_()
+{
+  parse_index(archive_, files_);
+}
+
+/******************************************************************************/
+const std::vector<Schema::File>& Manager::files() const { return files_; }
+
+/******************************************************************************/
+std::vector<Schema::File>::const_iterator
+Manager::find_file(const std::string_view& name) const
+{
+  return std::ranges::find(files_, name, &Schema::File::file_name);
+}
+
+/******************************************************************************/
+std::unique_ptr<Util::Parquet> Manager::parquet(const Schema::File& file) const
+{
+  std::unique_ptr<IO::File> data(archive_->read_file(file.file_name));
+  return std::make_unique<Util::Parquet>(std::move(data), file);
+}
+
+} // namespace MzPeak::Util
diff --git a/test/array_index_test.cpp b/test/array_index_test.cpp
index da9eea7..1fda385 100644
--- a/test/array_index_test.cpp
+++ b/test/array_index_test.cpp
@@ -11,6 +11,7 @@ directory of this repository.
 
 #include "mzpeak/data/signals.h"
 #include "mzpeak/open.h"
+#include "mzpeak/util/manager.h"
 
 /******************************************************************************/
 BOOST_AUTO_TEST_CASE(can_get_array_index)
@@ -24,7 +25,7 @@ BOOST_AUTO_TEST_CASE(can_get_array_index)
 
   BOOST_TEST((entry != mzpeak.files().end()));
 
-  auto parquet = mzpeak.parquet(*entry);
+  auto parquet = mzpeak.manager()->parquet(*entry);
   Data::Signals data(std::move(parquet));
   std::shared_ptr<Data::ArrayIndex> index(data.array_index());
 
@@ -73,7 +74,7 @@ BOOST_AUTO_TEST_CASE(can_read_mz_array)
 
   BOOST_TEST((entry != mzpeak.files().end()));
 
-  auto parquet = mzpeak.parquet(*entry);
+  auto parquet = mzpeak.manager()->parquet(*entry);
 
   Data::Signals data(std::move(parquet));
 
diff --git a/test/executor_test.cpp b/test/executor_test.cpp
index 9fc9d10..b32d80b 100644
--- a/test/executor_test.cpp
+++ b/test/executor_test.cpp
@@ -11,6 +11,7 @@ in the LICENSE file found in the top-level directory of this project.
 
 #include "mzpeak/open.h"
 #include "mzpeak/util/executor.h"
+#include "mzpeak/util/manager.h" // IWYU pragma: keep
 #include "mzpeak/util/parquet.h"
 #include "mzpeak/util/planner.h"
 #include "mzpeak/util/query.h"
@@ -26,7 +27,7 @@ BOOST_AUTO_TEST_CASE(can_find_spectrum)
 
   BOOST_TEST((entry != index.files().end()));
 
-  auto parquet = index.parquet(*entry);
+  auto parquet = index.manager()->parquet(*entry);
 
   auto index_field = parquet->field("point", "spectrum_index");
   BOOST_TEST(index_field.has_value());
@@ -69,7 +70,7 @@ BOOST_AUTO_TEST_CASE(can_read_uint8_t)
 
   BOOST_TEST((entry != index.files().end()));
 
-  auto parquet = index.parquet(*entry);
+  auto parquet = index.manager()->parquet(*entry);
 
   auto index_field = parquet->field("root", "index");
   BOOST_TEST(index_field.has_value());
diff --git a/test/group_test.cpp b/test/group_test.cpp
index 294fb4a..efeaf12 100644
--- a/test/group_test.cpp
+++ b/test/group_test.cpp
@@ -10,6 +10,7 @@ top-level directory of this repository.
 #include <boost/test/included/unit_test.hpp>
 
 #include "mzpeak/open.h"
+#include "mzpeak/util/manager.h" // IWYU pragma: keep
 #include "mzpeak/util/parquet.h"
 
 /******************************************************************************/
@@ -18,12 +19,10 @@ BOOST_AUTO_TEST_CASE(can_load_all_groups)
   using namespace MzPeak::Util;
   auto mzpeak = MzPeak::open("../test/files/small.mzpeak");
 
-  auto entry = std::ranges::find(mzpeak.files(), "spectra_metadata.parquet",
-                                 &MzPeak::Schema::File::file_name);
-
+  auto entry = mzpeak.find("spectra_metadata.parquet");
   BOOST_TEST((entry != mzpeak.files().end()));
 
-  auto parquet = mzpeak.parquet(*entry);
+  auto parquet = mzpeak.manager()->parquet(*entry);
 
   auto groups = parquet->groups();
   BOOST_TEST((groups->size() == 1));
diff --git a/test/index_test.cpp b/test/index_test.cpp
index eaade54..3ad2d9b 100644
--- a/test/index_test.cpp
+++ b/test/index_test.cpp
@@ -13,6 +13,7 @@ directory of this repository.
 
 #include "mzpeak/index.h"
 #include "mzpeak/open.h"
+#include "mzpeak/schema/file.h"
 
 /******************************************************************************/
 BOOST_AUTO_TEST_CASE(can_parse_json)
@@ -26,11 +27,9 @@ BOOST_AUTO_TEST_CASE(can_parse_json)
 BOOST_AUTO_TEST_CASE(is_associated_with)
 {
   auto index = MzPeak::open("../test/files/small.mzpeak");
-  const auto& files = index.files();
-
-  const auto& spectra = std::ranges::find(files, "spectra_data.parquet",
-                                          &MzPeak::Schema::File::file_name);
 
+  const auto& files = index.files();
+  const auto& spectra = index.find("spectra_data.parquet");
   BOOST_TEST((spectra != files.end()), "missing spectra_data.parquet");
 
   auto matches = [&](const auto& other) -> bool {
diff --git a/test/parquet_test.cpp b/test/parquet_test.cpp
index 0d86171..e772eed 100644
--- a/test/parquet_test.cpp
+++ b/test/parquet_test.cpp
@@ -10,6 +10,7 @@ directory of this repository.
 #include <boost/test/included/unit_test.hpp>
 
 #include "mzpeak/open.h"
+#include "mzpeak/util/manager.h" // IWYU pragma: keep
 #include "mzpeak/util/parquet.h"
 
 /******************************************************************************/
@@ -24,7 +25,7 @@ BOOST_AUTO_TEST_CASE(can_get_kv_string)
 
   BOOST_TEST((entry != mzpeak.files().end()));
 
-  auto parquet = mzpeak.parquet(*entry);
+  auto parquet = mzpeak.manager()->parquet(*entry);
   auto fmd = parquet->file_metadata();
   auto et = parquet->index_file().entity_type;
   auto key = MzPeak::Schema::entity_type_to_string(et) + "_array_index";
diff --git a/test/planner_test.cpp b/test/planner_test.cpp
index 57f4fe5..477b70c 100644
--- a/test/planner_test.cpp
+++ b/test/planner_test.cpp
@@ -9,6 +9,7 @@ in the LICENSE file found in the top-level directory of this project.
 #include <boost/test/included/unit_test.hpp>
 
 #include "mzpeak/open.h"
+#include "mzpeak/util/manager.h" // IWYU pragma: keep
 #include "mzpeak/util/parquet.h"
 #include "mzpeak/util/planner.h"
 
@@ -23,7 +24,7 @@ BOOST_AUTO_TEST_CASE(can_locate_correct_rows)
 
   BOOST_TEST((entry != index.files().end()));
 
-  auto parquet = index.parquet(*entry);
+  auto parquet = index.manager()->parquet(*entry);
 
   auto index_field = parquet->field("point", "spectrum_index");
   BOOST_TEST(index_field.has_value());
@@ -61,7 +62,7 @@ BOOST_AUTO_TEST_CASE(can_use_two_columns)
 
   BOOST_TEST((entry != index.files().end()));
 
-  auto parquet = index.parquet(*entry);
+  auto parquet = index.manager()->parquet(*entry);
 
   auto index_field = parquet->field("root", "source_index");
   BOOST_TEST(index_field.has_value());
diff --git a/test/spectra_test.cpp b/test/spectra_test.cpp
index d8047d5..bd3993c 100644
--- a/test/spectra_test.cpp
+++ b/test/spectra_test.cpp
@@ -9,6 +9,8 @@ directory of this repository.
 #define BOOST_TEST_MODULE Spectra
 #include <boost/test/included/unit_test.hpp>
 
+#include <ranges>
+
 #include "mzpeak/open.h"
 #include "mzpeak/spectra.h"
 #include "mzpeak/spectrum.h"

From 49ff9a76ed9057629dbeec05ae2b77526b02fea0 Mon Sep 17 00:00:00 2001
From: "Peter J. Jones" <peter@jonesbunch.com>
Date: Thu, 6 Aug 2026 10:58:23 +0200
Subject: [PATCH 5/7] Capture the new column_mapping object in the index JSON
 file

Also refactor the Schema::File struct to be a class.
---
 bin/mzp-inspect.cpp          |  2 +-
 include/mzpeak/schema/file.h | 34 ++++++++++++-----
 src/data/signals.cpp         |  2 +-
 src/metadata/table.cpp       |  4 +-
 src/schema/file.cpp          | 73 +++++++++++++++++++++++++++++++-----
 src/util/manager.cpp         |  2 +-
 src/util/parquet.cpp         |  6 +--
 test/index_test.cpp          |  6 +--
 test/parquet_test.cpp        |  2 +-
 9 files changed, 101 insertions(+), 30 deletions(-)

diff --git a/bin/mzp-inspect.cpp b/bin/mzp-inspect.cpp
index 8c894c7..5b008c7 100644
--- a/bin/mzp-inspect.cpp
+++ b/bin/mzp-inspect.cpp
@@ -40,7 +40,7 @@ int print_array_index(MzPeak::Index& index, const std::string& file)
   if (parquet == nullptr) return 1;
 
   auto fmd = parquet->file_metadata();
-  auto et = parquet->index_file().entity_type;
+  auto et = parquet->index_file().entity_type();
   auto key = MzPeak::Schema::entity_type_to_string(et) + "_array_index";
   auto json = parquet->kv_string(fmd, key);
 
diff --git a/include/mzpeak/schema/file.h b/include/mzpeak/schema/file.h
index 618ffe3..527ce40 100644
--- a/include/mzpeak/schema/file.h
+++ b/include/mzpeak/schema/file.h
@@ -17,13 +17,20 @@ directory of this repository.
 namespace MzPeak::Schema {
 namespace json = boost::json;
 
-struct File {
+/**
+ * A description of a file in the mzPeak archive.
+ */
+class File final {
+public:
+  struct Column {
+    std::string name;
+    std::string path;
+    std::optional<std::string> accession;
+    std::optional<std::string> unit;
+  };
 
   /// Constructor from a file name.
-  explicit File(const std::string& name)
-      : file_name(name)
-  {
-  }
+  explicit File(const std::string& name);
 
   /// Conversion from JSON.
   explicit File(const json::object&);
@@ -34,16 +41,25 @@ struct File {
   bool is_associated_with(const File&) const;
 
   /// Equality operator.
-  bool operator==(const File&) const = default;
+  bool operator==(const File&) const;
 
   /// The name of this file.
-  std::string file_name;
+  const std::string& file_name() const { return file_name_; }
 
   /// This file's data kind.
-  DataKind data_kind = DataKind::Other;
+  DataKind data_kind() const { return data_kind_; }
 
   /// This file's entity type.
-  EntityType entity_type = EntityType::Other;
+  EntityType entity_type() const { return entity_type_; }
+
+  /// Column definitions for this file.
+  const std::vector<Column>& columns() const { return columns_; }
+
+private:
+  std::string file_name_;
+  DataKind data_kind_ = DataKind::Other;
+  EntityType entity_type_ = EntityType::Other;
+  std::vector<Column> columns_;
 };
 
 } // namespace MzPeak::Schema
diff --git a/src/data/signals.cpp b/src/data/signals.cpp
index 4da918b..6144bc1 100644
--- a/src/data/signals.cpp
+++ b/src/data/signals.cpp
@@ -36,7 +36,7 @@ struct Signals::Impl {
 std::shared_ptr<ArrayIndex> Signals::Impl::parse_array_index() const
 {
   Util::Parquet::file_metadata_t fmd(parquet_->file_metadata());
-  EntityType entity_type = parquet_->index_file().entity_type;
+  EntityType entity_type = parquet_->index_file().entity_type();
 
   std::string num_key(Schema::entity_type_to_string(entity_type) + "_count");
   std::optional<std::size_t> num_entities(parquet_->kv_size_t(fmd, num_key));
diff --git a/src/metadata/table.cpp b/src/metadata/table.cpp
index cf9dfe2..46197c6 100644
--- a/src/metadata/table.cpp
+++ b/src/metadata/table.cpp
@@ -31,8 +31,8 @@ Table::Impl::Impl(std::unique_ptr<Util::Parquet> parquet)
 {
   auto file = parquet_->index_file();
 
-  if (file.data_kind != Schema::DataKind::Metadata) {
-    std::string msg("file is not a metadata file: " + file.file_name);
+  if (file.data_kind() != Schema::DataKind::Metadata) {
+    std::string msg("file is not a metadata file: " + file.file_name());
     throw ParquetError(msg);
   }
 }
diff --git a/src/schema/file.cpp b/src/schema/file.cpp
index 6a59650..37f3cac 100644
--- a/src/schema/file.cpp
+++ b/src/schema/file.cpp
@@ -10,28 +10,83 @@ directory of this repository.
 
 namespace MzPeak::Schema {
 
+/******************************************************************************/
+void parse_columns(const json::array& input, std::vector<File::Column>& output)
+{
+  auto get_string = [](const json::object& ob,
+                       std::string_view key) -> std::optional<std::string> {
+    auto it = ob.find(key);
+
+    if (it != ob.end() && it->value().is_string()) {
+      return std::string(it->value().as_string());
+    } else {
+      return {};
+    }
+  };
+
+  output.reserve(input.size());
+
+  for (const auto& column : input) {
+    if (!column.is_object()) {
+      // FIXME: emit a warning
+      continue;
+    }
+
+    const auto& colobj(column.as_object());
+
+    File::Column fc = {
+        .name = get_string(colobj, "name").value_or(""),
+        .path = get_string(colobj, "path")
+                    .or_else(std::bind(get_string, colobj, "name"))
+                    .value_or(""),
+        .accession = get_string(colobj, "accession"),
+        .unit = get_string(colobj, "unit"),
+    };
+
+    output.push_back(fc);
+  }
+}
+
+/******************************************************************************/
+File::File(const std::string& name)
+    : file_name_(name)
+{
+}
+
 /******************************************************************************/
 File::File(const json::object& o)
-    : file_name(o.at("name").as_string())
-    , data_kind(data_kind_from_string(o.at("data_kind").as_string()))
-    , entity_type(entity_type_from_string(o.at("entity_type").as_string()))
+    : file_name_(o.at("name").as_string())
+    , data_kind_(data_kind_from_string(o.at("data_kind").as_string()))
+    , entity_type_(entity_type_from_string(o.at("entity_type").as_string()))
+    , columns_()
 {
+  auto cs = o.find("column_mapping");
+
+  if (cs != o.end() && cs->value().is_array()) {
+    parse_columns(cs->value().as_array(), columns_);
+  }
 }
 
 /******************************************************************************/
 bool File::is_associated_with(const File& other) const
 {
-  std::string::size_type underscore(file_name.find("_"));
+  std::string::size_type underscore(file_name_.find("_"));
   if (underscore == std::string::npos) return false;
-  if (other.file_name.size() < underscore) return false;
+  if (other.file_name_.size() < underscore) return false;
 
-  if (file_name.compare(0, underscore, other.file_name, 0, underscore) != 0) {
+  if (file_name_.compare(0, underscore, other.file_name_, 0, underscore) != 0) {
     return false;
   }
 
-  return (data_kind == DataKind::DataArray &&
-          other.data_kind == DataKind::Metadata) ||
-         (data_kind == DataKind::Metadata && other.data_kind == DataKind::DataArray);
+  return (data_kind_ == DataKind::DataArray &&
+          other.data_kind_ == DataKind::Metadata) ||
+         (data_kind_ == DataKind::Metadata &&
+          other.data_kind_ == DataKind::DataArray);
 }
 
+/******************************************************************************/
+bool File::operator==(const File& other) const
+{
+  return file_name_ == other.file_name_;
+};
 } // namespace MzPeak::Schema
diff --git a/src/util/manager.cpp b/src/util/manager.cpp
index 62e9744..77c00b7 100644
--- a/src/util/manager.cpp
+++ b/src/util/manager.cpp
@@ -74,7 +74,7 @@ Manager::find_file(const std::string_view& name) const
 /******************************************************************************/
 std::unique_ptr<Util::Parquet> Manager::parquet(const Schema::File& file) const
 {
-  std::unique_ptr<IO::File> data(archive_->read_file(file.file_name));
+  std::unique_ptr<IO::File> data(archive_->read_file(file.file_name()));
   return std::make_unique<Util::Parquet>(std::move(data), file);
 }
 
diff --git a/src/util/parquet.cpp b/src/util/parquet.cpp
index 962b726..22f393e 100644
--- a/src/util/parquet.cpp
+++ b/src/util/parquet.cpp
@@ -66,7 +66,7 @@ struct Parquet::Impl {
     auto status = reader_builder.Open(std::move(raf));
 
     if (!status.ok()) {
-      std::string msg("while opening file: " + file.file_name + ": ");
+      std::string msg("while opening file: " + file_.file_name() + ": ");
       throw ParquetError(msg + status.ToString());
     }
 
@@ -74,7 +74,7 @@ struct Parquet::Impl {
     status = reader_builder.Build(&reader);
 
     if (!status.ok()) {
-      std::string msg("while reading file: " + file.file_name + ": ");
+      std::string msg("while reading file: " + file_.file_name() + ": ");
       throw ParquetError(msg + status.ToString());
     }
 
@@ -86,7 +86,7 @@ struct Parquet::Impl {
 
   void error(const std::string& error)
   {
-    std::string msg("file accessing " + file_.file_name + ": " + error);
+    std::string msg("file accessing " + file_.file_name() + ": " + error);
     throw ParquetError(msg);
   }
 
diff --git a/test/index_test.cpp b/test/index_test.cpp
index 3ad2d9b..3d55823 100644
--- a/test/index_test.cpp
+++ b/test/index_test.cpp
@@ -37,10 +37,10 @@ BOOST_AUTO_TEST_CASE(is_associated_with)
   };
 
   for (const auto& other : files | std::views::filter(matches)) {
-    BOOST_TEST_CONTEXT(spectra->file_name << " should not be associated with "
-                                          << other.file_name)
+    BOOST_TEST_CONTEXT(spectra->file_name()
+                       << " should not be associated with " << other.file_name())
     {
-      BOOST_TEST((other.file_name == "spectra_metadata.parquet"));
+      BOOST_TEST((other.file_name() == "spectra_metadata.parquet"));
     }
   }
 }
diff --git a/test/parquet_test.cpp b/test/parquet_test.cpp
index e772eed..6ad40c3 100644
--- a/test/parquet_test.cpp
+++ b/test/parquet_test.cpp
@@ -27,7 +27,7 @@ BOOST_AUTO_TEST_CASE(can_get_kv_string)
 
   auto parquet = mzpeak.manager()->parquet(*entry);
   auto fmd = parquet->file_metadata();
-  auto et = parquet->index_file().entity_type;
+  auto et = parquet->index_file().entity_type();
   auto key = MzPeak::Schema::entity_type_to_string(et) + "_array_index";
   auto json = parquet->kv_string(fmd, key);
 

From d9c81e3c881f4870426d54bc3ef515024aca71d1 Mon Sep 17 00:00:00 2001
From: "Peter J. Jones" <peter@jonesbunch.com>
Date: Thu, 6 Aug 2026 10:59:23 +0200
Subject: [PATCH 6/7] Transfer the column_map information into the schema
 parser

---
 include/mzpeak/schema/group.h |  7 +++++--
 src/schema/group.cpp          | 35 +++++++++++++++++++++++++++++------
 src/util/parquet.cpp          |  5 +++--
 3 files changed, 37 insertions(+), 10 deletions(-)

diff --git a/include/mzpeak/schema/group.h b/include/mzpeak/schema/group.h
index c6a2e14..9b4550e 100644
--- a/include/mzpeak/schema/group.h
+++ b/include/mzpeak/schema/group.h
@@ -14,6 +14,7 @@ top-level directory of this repository.
 #include <string>
 
 #include "mzpeak/schema/cv.h"
+#include "mzpeak/schema/file.h"
 #include "mzpeak/util/types.h"
 
 // Forward declarations.
@@ -136,10 +137,11 @@ class Group final {
 
   /// Constructor for the root group to hold all of the top-level
   /// columns that are not in a separate struct/group.
-  explicit Group(const parquet::schema::GroupNode&);
+  explicit Group(const parquet::schema::GroupNode&, const Schema::File&);
 
   /// Constructor from a parquet schema descriptor.
   explicit Group(const parquet::schema::GroupNode&,
+                 const Schema::File&,
                  index_type index,
                  index_type offset);
 
@@ -190,7 +192,8 @@ class Group final {
   std::string path(const Field&) const;
 
 private:
-  void make_fields(const parquet::schema::GroupNode& node, index_type offset);
+  void
+  make_fields(const parquet::schema::GroupNode&, const Schema::File&, index_type);
 
   std::string name_;
   bool is_root_;
diff --git a/src/schema/group.cpp b/src/schema/group.cpp
index 061db07..78e1702 100644
--- a/src/schema/group.cpp
+++ b/src/schema/group.cpp
@@ -16,6 +16,14 @@ top-level directory of this repository.
 
 namespace MzPeak::Schema {
 
+/******************************************************************************/
+template <typename T> std::optional<T> string_to_cv_child(std::string_view s)
+{
+  return CV::from_string(s).and_then([](const auto& cv) -> std::optional<T> {
+    return T(cv.code(), cv.accession());
+  });
+}
+
 /******************************************************************************/
 // clang doesn't support views::join yet :(
 std::string join_(auto begin, auto end)
@@ -115,18 +123,19 @@ const std::optional<Util::Type>& Group::Field::type() const { return type_; }
 void Group::Field::type(Util::Type type) { type_ = type; }
 
 /******************************************************************************/
-Group::Group(const parquet::schema::GroupNode& node)
+Group::Group(const parquet::schema::GroupNode& node, const Schema::File& file)
     : name_("root")
     , is_root_(true)
     , index_(0)
     , fields_()
 {
   // This is the root group so only collect non-group top-level columns.
-  make_fields(node, 0);
+  make_fields(node, file, 0);
 }
 
 /******************************************************************************/
 Group::Group(const parquet::schema::GroupNode& node,
+             const Schema::File& file,
              index_type index,
              index_type offset)
     : name_(node.name())
@@ -134,19 +143,33 @@ Group::Group(const parquet::schema::GroupNode& node,
     , index_(index)
     , fields_()
 {
-  make_fields(node, offset);
+  make_fields(node, file, offset);
 }
 
 /******************************************************************************/
-void Group::make_fields(const parquet::schema::GroupNode& node, index_type offset)
+void Group::make_fields(const parquet::schema::GroupNode& node,
+                        const Schema::File& file,
+                        index_type offset)
 {
+  auto link = [&](std::shared_ptr<Field>& field) -> void {
+    fields_[field->name()] = field;
+
+    std::string col_path = path(*field);
+    const auto it = std::ranges::find(file.columns(), col_path, &File::Column::path);
+
+    if (it != file.columns().end()) {
+      field->cv_type_ = it->accession.and_then(&string_to_cv_child<CVType>);
+      field->cv_unit_ = it->unit.and_then(&string_to_cv_child<CVUnit>);
+    }
+  };
+
   for (index_type i : std::views::iota(0, node.field_count())) {
     auto child = node.field(i);
 
     if (child->is_primitive()) {
       std::shared_ptr<Field> field =
           std::make_shared<Field>(child->name(), i, offset + i);
-      fields_[field->name()] = field;
+      link(field);
 
       auto prim = std::static_pointer_cast<parquet::schema::PrimitiveNode>(child);
       field->kind_ = Field::Kind::Scalar;
@@ -157,7 +180,7 @@ void Group::make_fields(const parquet::schema::GroupNode& node, index_type offse
       if (grp->field_count() == 1) {
         std::shared_ptr<Field> field =
             std::make_shared<Field>(grp->name(), i, offset + i);
-        fields_[field->name()] = field;
+        link(field);
 
         auto grp_type = field_type_from_parquet(grp);
         field->kind_ = grp_type.first;
diff --git a/src/util/parquet.cpp b/src/util/parquet.cpp
index 22f393e..fab820d 100644
--- a/src/util/parquet.cpp
+++ b/src/util/parquet.cpp
@@ -106,7 +106,8 @@ void Parquet::Impl::parse_schema()
   auto root = fmd->schema()->group_node();
   int32_t offset = 0;
 
-  std::shared_ptr<Schema::Group> root_group = std::make_shared<Schema::Group>(*root);
+  std::shared_ptr<Schema::Group> root_group =
+      std::make_shared<Schema::Group>(*root, file_);
 
   if (!root_group->fields().empty()) {
     (*groups_)[root_group->name()] = root_group;
@@ -120,7 +121,7 @@ void Parquet::Impl::parse_schema()
           std::static_pointer_cast<parquet::schema::GroupNode>(node);
 
       std::shared_ptr<Schema::Group> s =
-          std::make_shared<Schema::Group>(*group, i, offset);
+          std::make_shared<Schema::Group>(*group, file_, i, offset);
       (*groups_)[s->name()] = s;
       offset += group->field_count();
     }

From 6195f0a1cefe246154f6bd43d67238b0724046e1 Mon Sep 17 00:00:00 2001
From: "Peter J. Jones" <peter@jonesbunch.com>
Date: Thu, 6 Aug 2026 10:59:40 +0200
Subject: [PATCH 7/7] Remove extra allocation for the old spectrum index entry

The entry was removed but I never updated the allocation line.
---
 src/data/array_index.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/data/array_index.cpp b/src/data/array_index.cpp
index 9d2cff6..6324057 100644
--- a/src/data/array_index.cpp
+++ b/src/data/array_index.cpp
@@ -44,7 +44,7 @@ ArrayIndex::ArrayIndex(EntityType entity_type, const json::object& obj)
 
   if (entries != obj.end() && entries->value().is_array()) {
     auto entries_ary(entries->value().as_array());
-    entries_.reserve(entries_ary.size() + 1);
+    entries_.reserve(entries_ary.size());
 
     for (const auto& entry_obj : entries_ary) {
       if (entry_obj.is_object()) {