Data quality metrics extracted from 4l9r.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": "d476c6a47e95cd51381f063516a2fee4",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 52.07,
    "b": 121.11,
    "c": 128.47,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.125,1.950],
    "number_observations_unique": 30058,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.108
      },
      {
        "type": "I/SigI",
        "value": 16.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 14.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.060,1.950],
      "number_observations": 64305,
      "number_observations_unique": 4326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.569
        },
        {
          "type": "I/SigI",
          "value": 1.30
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.9
        }
      ]
    },
    {
      "resolution_limits": [2.180,2.060],
      "number_observations": 61350,
      "number_observations_unique": 4114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.363
        },
        {
          "type": "I/SigI",
          "value": 2.00
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.9
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.180],
      "number_observations": 57319,
      "number_observations_unique": 3847,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 3.00
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.9
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.330],
      "number_observations": 53829,
      "number_observations_unique": 3607,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "I/SigI",
          "value": 3.70
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.9
        }
      ]
    },
    {
      "resolution_limits": [2.760,2.520],
      "number_observations": 49913,
      "number_observations_unique": 3350,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 4.70
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.9
        }
      ]
    },
    {
      "resolution_limits": [3.080,2.760],
      "number_observations": 45133,
      "number_observations_unique": 3025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 5.90
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.9
        }
      ]
    },
    {
      "resolution_limits": [3.560,3.080],
      "number_observations": 39839,
      "number_observations_unique": 2683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "I/SigI",
          "value": 5.70
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.8
        }
      ]
    },
    {
      "resolution_limits": [4.360,3.560],
      "number_observations": 33740,
      "number_observations_unique": 2291,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 6.70
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.7
        }
      ]
    },
    {
      "resolution_limits": [6.170,4.360],
      "number_observations": 25826,
      "number_observations_unique": 1795,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 6.80
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 14.4
        }
      ]
    },
    {
      "resolution_limits": [47.836,6.170],
      "number_observations": 13160,
      "number_observations_unique": 1020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 10.50
        },
        {
          "type": "Completeness",
          "value": 97.7
        },
        {
          "type": "Redundancy",
          "value": 12.9
        }
      ]
    }
  ]

}
  

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


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