Data quality metrics extracted from 4dvq.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": "e3e4ff24136dea64fec12456c43eb9fa",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 130.347,
    "b": 199.629,
    "c": 150.153,
    "alpha": 90.00,
    "beta": 112.18,
    "gamma": 90.00
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.55,2.49],
    "number_observations_unique": 245749,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 12.7435
      },
      {
        "type": "Completeness",
        "value": 99.21
      },
      {
        "type": "Redundancy",
        "value": 4.24
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.62,2.49],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.94
        },
        {
          "type": "Completeness",
          "value": 95.08
        },
        {
          "type": "Redundancy",
          "value": 4.00
        }
      ]
    },
    {
      "resolution_limits": [2.78,2.62],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.67
        },
        {
          "type": "Completeness",
          "value": 99.79
        },
        {
          "type": "Redundancy",
          "value": 4.19
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.78],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.40
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 4.24
        }
      ]
    },
    {
      "resolution_limits": [3.21,2.98],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 4.30
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.21],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 4.33
        }
      ]
    },
    {
      "resolution_limits": [3.94,3.52],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 4.32
        }
      ]
    },
    {
      "resolution_limits": [4.55,3.94],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 4.31
        }
      ]
    },
    {
      "resolution_limits": [5.57,4.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 4.30
        }
      ]
    },
    {
      "resolution_limits": [7.87,5.57],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 4.28
        }
      ]
    },
    {
      "resolution_limits": [48.55,7.87],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 99.51
        },
        {
          "type": "Redundancy",
          "value": 4.20
        }
      ]
    }
  ]

}
  

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


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