Data quality metrics extracted from 3d2l.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": "7727441c0f84e345ab190a5d4a466d7c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 67.83,
    "b": 70.92,
    "c": 77.19,
    "alpha": 116.57,
    "beta": 104.63,
    "gamma": 102.32
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.374,1.90],
    "number_observations_unique": 84662,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 14.730
      },
      {
        "type": "Completeness",
        "value": 92.200
      },
      {
        "type": "Redundancy",
        "value": 7.86
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations": 46262,
      "number_observations_unique": 11976,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.649
        },
        {
          "type": "I/SigI",
          "value": 2.28
        },
        {
          "type": "Completeness",
          "value": 63.70
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.97],
      "number_observations": 65296,
      "number_observations_unique": 16533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.479
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 89.40
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.05],
      "number_observations": 65873,
      "number_observations_unique": 16733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.342
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 95.10
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.14],
      "number_observations": 67512,
      "number_observations_unique": 17066,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "I/SigI",
          "value": 6.1
        },
        {
          "type": "Completeness",
          "value": 95.60
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.25],
      "number_observations": 69324,
      "number_observations_unique": 17478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 96.00
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations": 72539,
      "number_observations_unique": 18234,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 10.1
        },
        {
          "type": "Completeness",
          "value": 96.50
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.58],
      "number_observations": 70112,
      "number_observations_unique": 17690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 14.9
        },
        {
          "type": "Completeness",
          "value": 96.60
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.84],
      "number_observations": 70111,
      "number_observations_unique": 17676,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 22.4
        },
        {
          "type": "Completeness",
          "value": 97.20
        }
      ]
    },
    {
      "resolution_limits": [4.08,3.25],
      "number_observations": 69210,
      "number_observations_unique": 17605,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 32.3
        },
        {
          "type": "Completeness",
          "value": 97.30
        }
      ]
    },
    {
      "resolution_limits": [29.37,4.08],
      "number_observations": 69142,
      "number_observations_unique": 17817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 38.4
        },
        {
          "type": "Completeness",
          "value": 96.00
        }
      ]
    }
  ]

}
  

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


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