Data quality metrics extracted from 4m55.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": "a12f353f25f716f3d57d808084c1eccc",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 83.171,
    "b": 85.145,
    "c": 292.549,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.86],
    "number_observations_unique": 52758,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 99.11
      },
      {
        "type": "Redundancy",
        "value": 6.15
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.96,2.86],
      "number_observations_unique": 7151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.83
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 99.11
        },
        {
          "type": "Redundancy",
          "value": 5.96
        }
      ]
    },
    {
      "resolution_limits": [3.13,2.96],
      "number_observations_unique": 8115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.207
        },
        {
          "type": "I/SigI",
          "value": 2.13
        },
        {
          "type": "Redundancy",
          "value": 6.28
        }
      ]
    },
    {
      "resolution_limits": [3.38,3.13],
      "number_observations_unique": 7581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "I/SigI",
          "value": 4.21
        },
        {
          "type": "Redundancy",
          "value": 6.29
        }
      ]
    },
    {
      "resolution_limits": [3.70,3.38],
      "number_observations_unique": 6999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 7.71
        },
        {
          "type": "Redundancy",
          "value": 6.24
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.70],
      "number_observations_unique": 6351,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "I/SigI",
          "value": 12.04
        },
        {
          "type": "Redundancy",
          "value": 6.17
        }
      ]
    },
    {
      "resolution_limits": [4.77,4.14],
      "number_observations_unique": 5649,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 18.35
        },
        {
          "type": "Redundancy",
          "value": 6.12
        }
      ]
    },
    {
      "resolution_limits": [5.83,4.77],
      "number_observations_unique": 4822,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 21.28
        },
        {
          "type": "Redundancy",
          "value": 5.94
        }
      ]
    },
    {
      "resolution_limits": [8.19,5.83],
      "number_observations_unique": 3817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 26.70
        },
        {
          "type": "Redundancy",
          "value": 5.5
        }
      ]
    },
    {
      "resolution_limits": [42.3,8.19],
      "number_observations_unique": 2273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 34.88
        },
        {
          "type": "Redundancy",
          "value": 5.5
        }
      ]
    }
  ]

}
  

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


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