Data quality metrics extracted from 2hr2.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": "42d652696a523ac8da13c63843e2f246",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 89.09,
    "b": 91.28,
    "c": 176.17,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91837,0.97936,0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.696,2.540],
    "number_observations_unique": 47660,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 8.080
      },
      {
        "type": "Completeness",
        "value": 90.900
      },
      {
        "type": "Redundancy",
        "value": 2.18
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.63,2.54],
      "number_observations": 16175,
      "number_observations_unique": 7287,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.563
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 80.60
        },
        {
          "type": "Redundancy",
          "value": 2.15
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.63],
      "number_observations": 17679,
      "number_observations_unique": 7959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.438
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 83.50
        }
      ]
    },
    {
      "resolution_limits": [2.86,2.74],
      "number_observations": 16989,
      "number_observations_unique": 7687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.349
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 86.80
        }
      ]
    },
    {
      "resolution_limits": [3.01,2.86],
      "number_observations": 17870,
      "number_observations_unique": 8104,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 89.60
        }
      ]
    },
    {
      "resolution_limits": [3.20,3.01],
      "number_observations": 18774,
      "number_observations_unique": 8520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 4.5
        },
        {
          "type": "Completeness",
          "value": 91.80
        }
      ]
    },
    {
      "resolution_limits": [3.44,3.20],
      "number_observations": 18472,
      "number_observations_unique": 8379,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 6.8
        },
        {
          "type": "Completeness",
          "value": 93.80
        }
      ]
    },
    {
      "resolution_limits": [3.79,3.44],
      "number_observations": 19508,
      "number_observations_unique": 8919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 9.7
        },
        {
          "type": "Completeness",
          "value": 95.80
        }
      ]
    },
    {
      "resolution_limits": [4.33,3.79],
      "number_observations": 19170,
      "number_observations_unique": 8726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 13.3
        },
        {
          "type": "Completeness",
          "value": 96.20
        }
      ]
    },
    {
      "resolution_limits": [29.696,4.33],
      "number_observations": 19464,
      "number_observations_unique": 8845,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 15.0
        },
        {
          "type": "Completeness",
          "value": 96.20
        }
      ]
    }
  ]

}
  

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


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