Data quality metrics extracted from 4e9m.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": "3d858ff102a5ea7d4c479a0b9dfb604a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 82.846,
    "b": 85.335,
    "c": 113.682,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,2.15],
    "number_observations_unique": 34341,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 9.66
      },
      {
        "type": "Completeness",
        "value": 75.9
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.19,2.15],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.545
        },
        {
          "type": "I/SigI",
          "value": 0.79
        },
        {
          "type": "Completeness",
          "value": 7.0
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    },
    {
      "resolution_limits": [2.23,2.19],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.410
        },
        {
          "type": "I/SigI",
          "value": 1.12
        },
        {
          "type": "Completeness",
          "value": 14.3
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.380
        },
        {
          "type": "I/SigI",
          "value": 3.04
        },
        {
          "type": "Completeness",
          "value": 91.7
        },
        {
          "type": "Redundancy",
          "value": 2.9
        }
      ]
    },
    {
      "resolution_limits": [4.63,4.05],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 17.6
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 4.2
        }
      ]
    },
    {
      "resolution_limits": [50.,5.83],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 17.0
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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