Data quality metrics extracted from 4hw0.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": "276dc8b0df45b5f0586ccf7dcd32e8dc",
  "space_group_name": "P 21 2 2",
  "unit_cell": {
    "a": 60.221,
    "b": 69.538,
    "c": 80.727,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.36,2.00],
    "number_observations_unique": 21998,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 39.6302
      },
      {
        "type": "Completeness",
        "value": 93.28
      },
      {
        "type": "Redundancy",
        "value": 13.46
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.00],
      "number_observations": 30661,
      "number_observations_unique": 3204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48
        },
        {
          "type": "Completeness",
          "value": 95.21
        },
        {
          "type": "Redundancy",
          "value": 9.57
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.11],
      "number_observations": 33034,
      "number_observations_unique": 2505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "Completeness",
          "value": 78.05
        },
        {
          "type": "Redundancy",
          "value": 13.19
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.24],
      "number_observations": 33083,
      "number_observations_unique": 2310,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "Completeness",
          "value": 77.18
        },
        {
          "type": "Redundancy",
          "value": 14.32
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations": 41587,
      "number_observations_unique": 2830,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.70
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.58],
      "number_observations": 38001,
      "number_observations_unique": 2592,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.66
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.83],
      "number_observations": 34837,
      "number_observations_unique": 2394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 14.55
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.16],
      "number_observations": 30094,
      "number_observations_unique": 2102,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.32
        }
      ]
    },
    {
      "resolution_limits": [4.47,3.65],
      "number_observations": 25131,
      "number_observations_unique": 1794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 14.01
        }
      ]
    },
    {
      "resolution_limits": [6.32,4.47],
      "number_observations": 19500,
      "number_observations_unique": 1435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 13.59
        }
      ]
    },
    {
      "resolution_limits": [40.36,6.32],
      "number_observations": 10150,
      "number_observations_unique": 832,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 99.05
        },
        {
          "type": "Redundancy",
          "value": 12.20
        }
      ]
    }
  ]

}
  

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


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