Data quality metrics extracted from 4rll.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": "0b5af775d3c403d799561d4ad872522f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.49,
    "b": 45.45,
    "c": 64.01,
    "alpha": 90.00,
    "beta": 111.39,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.85],
    "number_observations_unique": 26413,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0707
      },
      {
        "type": "I/SigI",
        "value": 15.94
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 5.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.85],
      "number_observations_unique": 3779,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.727
        },
        {
          "type": "I/SigI",
          "value": 2.23
        },
        {
          "type": "Completeness",
          "value": 96.5
        },
        {
          "type": "Redundancy",
          "value": 5.35
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.95],
      "number_observations_unique": 3654,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.434
        },
        {
          "type": "I/SigI",
          "value": 3.76
        },
        {
          "type": "Completeness",
          "value": 97.3
        },
        {
          "type": "Redundancy",
          "value": 5.15
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.07],
      "number_observations_unique": 4116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "I/SigI",
          "value": 6.09
        },
        {
          "type": "Completeness",
          "value": 97
        },
        {
          "type": "Redundancy",
          "value": 4.81
        }
      ]
    },
    {
      "resolution_limits": [2.5,2.25],
      "number_observations_unique": 3961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "I/SigI",
          "value": 10.00
        },
        {
          "type": "Completeness",
          "value": 98.2
        },
        {
          "type": "Redundancy",
          "value": 5.25
        }
      ]
    },
    {
      "resolution_limits": [2.9,2.5],
      "number_observations_unique": 3865,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 15.97
        },
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 5.38
        }
      ]
    },
    {
      "resolution_limits": [3.3,2.9],
      "number_observations_unique": 2226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 26.25
        },
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 5.24
        }
      ]
    },
    {
      "resolution_limits": [3.9,3.3],
      "number_observations_unique": 1873,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 37.10
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 4.81
        }
      ]
    },
    {
      "resolution_limits": [5.4,3.9],
      "number_observations_unique": 1809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 47.52
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 4.87
        }
      ]
    },
    {
      "resolution_limits": [50,5.4],
      "number_observations_unique": 1130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 51.74
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 5.32
        }
      ]
    }
  ]

}
  

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


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