Data quality metrics extracted from 4k60.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": "391aebe6d7a75f249d09d0b5ffdc93f5",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 74.615,
    "b": 74.615,
    "c": 49.738,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.37,1.500],
    "number_observations_unique": 43872,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 10.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.04
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.550,1.500],
      "number_observations": 26308,
      "number_observations_unique": 4385,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        },
        {
          "type": "I/SigI",
          "value": 3.00
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 5.980
        }
      ]
    },
    {
      "resolution_limits": [1.620,1.550],
      "number_observations": 26076,
      "number_observations_unique": 4329,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.360
        },
        {
          "type": "I/SigI",
          "value": 3.80
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.000
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.620],
      "number_observations": 26538,
      "number_observations_unique": 4389,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "I/SigI",
          "value": 5.20
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.010
        }
      ]
    },
    {
      "resolution_limits": [1.780,1.690],
      "number_observations": 26553,
      "number_observations_unique": 4381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        },
        {
          "type": "I/SigI",
          "value": 6.90
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 6.010
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.780],
      "number_observations": 26388,
      "number_observations_unique": 4321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.160
        },
        {
          "type": "I/SigI",
          "value": 8.20
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 6.050
        }
      ]
    },
    {
      "resolution_limits": [2.040,1.890],
      "number_observations": 26843,
      "number_observations_unique": 4397,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 10.20
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.060
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.040],
      "number_observations": 26985,
      "number_observations_unique": 4381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 12.00
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 6.090
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.240],
      "number_observations": 27007,
      "number_observations_unique": 4375,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 12.90
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 6.110
        }
      ]
    },
    {
      "resolution_limits": [3.230,2.560],
      "number_observations": 27176,
      "number_observations_unique": 4407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 14.60
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 6.130
        }
      ]
    },
    {
      "resolution_limits": [33.370,3.230],
      "number_observations": 27261,
      "number_observations_unique": 4507,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 26.50
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 6.010
        }
      ]
    }
  ]

}
  

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


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