Data quality metrics extracted from 4mqw.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": "a0ea6b4b2ba6974d0e0b2eecaaf6bf89",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 95.900,
    "b": 95.900,
    "c": 204.281,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.9],
    "number_observations_unique": 43220,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 19.9
      },
      {
        "type": "Completeness",
        "value": 95.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.9],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 70
        }
      ]
    },
    {
      "resolution_limits": [3,2.95],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 78.1
        }
      ]
    },
    {
      "resolution_limits": [3.06,3],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84
        }
      ]
    },
    {
      "resolution_limits": [3.12,3.06],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.1
        }
      ]
    },
    {
      "resolution_limits": [3.19,3.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94
        }
      ]
    },
    {
      "resolution_limits": [3.27,3.19],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.2
        }
      ]
    }
  ]

}
  

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


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