Data quality metrics extracted from 4oal.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": "4a1cd4e4f7e9e0249f2661457c5f9bfc",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 112.66,
    "b": 112.62,
    "c": 203.04,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.3,1.90],
    "number_observations_unique": 101537,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 11.44
      },
      {
        "type": "Completeness",
        "value": 99.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.90],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.42
        },
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.01],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.58
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.15],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.67
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.32],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.49
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.54],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 11.15
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.28,2.84],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 17.61
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.02,3.28],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 26.57
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [5.66,4.02],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 33.17
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [27.3,5.66],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 34.66
        },
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    }
  ]

}
  

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


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