Data quality metrics extracted from 2hag.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "f8462388e8b89ef121f5f0b8ef1e10d0",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 94.31,
    "b": 94.31,
    "c": 113.68,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97929,0.91837,0.97894],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.54,2.750],
    "number_observations_unique": 13932,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 10.850
      },
      {
        "type": "Completeness",
        "value": 95.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.75],
      "number_observations": 8805,
      "number_observations_unique": 2297,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.835
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 86.70
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.85],
      "number_observations": 8529,
      "number_observations_unique": 2214,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.671
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 89.80
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.96],
      "number_observations": 9500,
      "number_observations_unique": 2459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 92.10
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.10],
      "number_observations": 9309,
      "number_observations_unique": 2415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 94.50
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.26],
      "number_observations": 9345,
      "number_observations_unique": 2423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 96.80
        }
      ]
    },
    {
      "resolution_limits": [3.73,3.46],
      "number_observations": 9908,
      "number_observations_unique": 2573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.152
        },
        {
          "type": "I/SigI",
          "value": 8.5
        },
        {
          "type": "Completeness",
          "value": 98.40
        }
      ]
    },
    {
      "resolution_limits": [4.10,3.73],
      "number_observations": 9809,
      "number_observations_unique": 2542,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 13.9
        },
        {
          "type": "Completeness",
          "value": 99.30
        }
      ]
    },
    {
      "resolution_limits": [4.69,4.10],
      "number_observations": 9839,
      "number_observations_unique": 2559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 18.6
        },
        {
          "type": "Completeness",
          "value": 99.30
        }
      ]
    },
    {
      "resolution_limits": [29.54,4.69],
      "number_observations": 9792,
      "number_observations_unique": 2569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 19.1
        },
        {
          "type": "Completeness",
          "value": 99.60
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):