Data quality metrics extracted from 4u20.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": "eb0765224c186d17c2019f301d5687d7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 211.79,
    "b": 433.06,
    "c": 623.86,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70,2.900],
    "number_observations": 2259195,
    "number_observations_unique": 1094024,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.123
      },
      {
        "type": "R(meas)",
        "value": 0.157
      },
      {
        "type": "I/SigI",
        "value": 4.390
      },
      {
        "type": "Completeness",
        "value": 87.400
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.000,2.900],
      "number_observations": 170398,
      "number_observations_unique": 90498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.600
        },
        {
          "type": "R(meas)",
          "value": 0.767
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 75.300
        }
      ]
    },
    {
      "resolution_limits": [3.150,3.000],
      "number_observations": 226892,
      "number_observations_unique": 120218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.398
        },
        {
          "type": "R(meas)",
          "value": 0.509
        },
        {
          "type": "I/SigI",
          "value": 1.150
        },
        {
          "type": "Completeness",
          "value": 78.500
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.150],
      "number_observations": 827502,
      "number_observations_unique": 426431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "R(meas)",
          "value": 0.257
        },
        {
          "type": "I/SigI",
          "value": 2.960
        },
        {
          "type": "Completeness",
          "value": 85.700
        }
      ]
    },
    {
      "resolution_limits": [6.000,4.000],
      "number_observations": 698840,
      "number_observations_unique": 318323,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.160
        },
        {
          "type": "I/SigI",
          "value": 6.460
        },
        {
          "type": "Completeness",
          "value": 94.700
        }
      ]
    },
    {
      "resolution_limits": [10.000,6.000],
      "number_observations": 252974,
      "number_observations_unique": 108124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 8.760
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    },
    {
      "resolution_limits": [50.000,10.000],
      "number_observations": 82224,
      "number_observations_unique": 30326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 11.220
        },
        {
          "type": "Completeness",
          "value": 96.100
        }
      ]
    },
    {
      "resolution_limits": [70,50.000],
      "number_observations": 365,
      "number_observations_unique": 104,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 13.450
        },
        {
          "type": "Completeness",
          "value": 33.400
        }
      ]
    }
  ]

}
  

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


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