Data quality metrics extracted from 5r4c.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": "fc777f4adb2231e71c451d9bf27be03b",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 69.978,
    "b": 69.978,
    "c": 97.330,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.150],
    "number_observations": 7823706,
    "number_observations_unique": 86175,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.120
      },
      {
        "type": "I/SigI",
        "value": 10.200
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 90.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.190,1.150],
      "number_observations_unique": 8450,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.748
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 12.400
        }
      ]
    },
    {
      "resolution_limits": [1.240,1.190],
      "number_observations_unique": 8495,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.563
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 29.200
        }
      ]
    },
    {
      "resolution_limits": [1.300,1.240],
      "number_observations_unique": 8522,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.374
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 58.000
        }
      ]
    },
    {
      "resolution_limits": [1.360,1.300],
      "number_observations_unique": 8514,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 91.300
        }
      ]
    },
    {
      "resolution_limits": [1.450,1.360],
      "number_observations_unique": 8531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 114.100
        }
      ]
    },
    {
      "resolution_limits": [1.560,1.450],
      "number_observations_unique": 8581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 121.400
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.560],
      "number_observations_unique": 8578,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 122.500
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.720],
      "number_observations_unique": 8656,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 122.500
        }
      ]
    },
    {
      "resolution_limits": [2.480,1.970],
      "number_observations_unique": 8738,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 120.900
        }
      ]
    },
    {
      "resolution_limits": [50.000,2.480],
      "number_observations_unique": 9110,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 111.700
        }
      ]
    }
  ]

}
  

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


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