Data quality metrics extracted from 4hw1.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": "20eaef1c2d99f394822c69ec2481624f",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 50.431,
    "b": 61.155,
    "c": 80.601,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.36,3.099],
    "number_observations_unique": 2433,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.184
      },
      {
        "type": "I/SigI",
        "value": 9.7952
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 10.25
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.27,3.10],
      "number_observations_unique": 344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.55
        },
        {
          "type": "Completeness",
          "value": 98.99
        },
        {
          "type": "Redundancy",
          "value": 9.75
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.27],
      "number_observations_unique": 319,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.80
        },
        {
          "type": "Completeness",
          "value": 99.66
        },
        {
          "type": "Redundancy",
          "value": 10.74
        }
      ]
    },
    {
      "resolution_limits": [3.70,3.46],
      "number_observations_unique": 315,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.49
        }
      ]
    },
    {
      "resolution_limits": [4.00,3.70],
      "number_observations_unique": 292,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.50
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.65
        }
      ]
    },
    {
      "resolution_limits": [4.38,4.00],
      "number_observations_unique": 270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.30
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.55
        }
      ]
    },
    {
      "resolution_limits": [4.90,4.38],
      "number_observations_unique": 243,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.54
        }
      ]
    },
    {
      "resolution_limits": [5.66,4.90],
      "number_observations_unique": 226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 10.27
        }
      ]
    },
    {
      "resolution_limits": [6.93,5.66],
      "number_observations_unique": 185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 9.86
        }
      ]
    },
    {
      "resolution_limits": [9.80,6.93],
      "number_observations_unique": 151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 9.58
        }
      ]
    },
    {
      "resolution_limits": [24.36,9.80],
      "number_observations_unique": 88,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 93.65
        },
        {
          "type": "Redundancy",
          "value": 8.30
        }
      ]
    }
  ]

}
  

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


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