Data quality metrics extracted from 5p28.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": "a80221423efa6b19ce68f9cfde6dbd37",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.329,
    "b": 73.013,
    "c": 52.821,
    "alpha": 90.00,
    "beta": 109.39,
    "gamma": 90.00
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.758,1.340],
    "number_observations": 287870,
    "number_observations_unique": 70909,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.095
      },
      {
        "type": "R(meas)",
        "value": 0.110
      },
      {
        "type": "I/SigI",
        "value": 11.140
      },
      {
        "type": "Completeness",
        "value": 98.400
      },
      {
        "type": "Redundancy",
        "value": 4.059
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.430,1.340],
      "number_observations": 43865,
      "number_observations_unique": 10861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.699
        },
        {
          "type": "R(meas)",
          "value": 0.804
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 93.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.693
        }
      ]
    },
    {
      "resolution_limits": [1.520,1.430],
      "number_observations": 44402,
      "number_observations_unique": 10833,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.503
        },
        {
          "type": "R(meas)",
          "value": 0.577
        },
        {
          "type": "I/SigI",
          "value": 3.160
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.810
        }
      ]
    },
    {
      "resolution_limits": [1.650,1.520],
      "number_observations": 41767,
      "number_observations_unique": 10140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.343
        },
        {
          "type": "R(meas)",
          "value": 0.394
        },
        {
          "type": "I/SigI",
          "value": 4.820
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.650],
      "number_observations": 38576,
      "number_observations_unique": 9338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.225
        },
        {
          "type": "R(meas)",
          "value": 0.258
        },
        {
          "type": "I/SigI",
          "value": 7.390
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.948
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.800],
      "number_observations": 34367,
      "number_observations_unique": 8433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 12.570
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.020],
      "number_observations": 29689,
      "number_observations_unique": 7405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "I/SigI",
          "value": 18.390
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.330],
      "number_observations": 25060,
      "number_observations_unique": 6291,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 22.280
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.020,2.850],
      "number_observations": 19376,
      "number_observations_unique": 4876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 29.210
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [42.758,4.020],
      "number_observations": 10768,
      "number_observations_unique": 2732,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 33.090
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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