Data quality metrics extracted from 5sjh.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": "5157873bae5d5a308971806f6fdeae93",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 136.308,
    "b": 136.308,
    "c": 235.947,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.72,2.000],
    "number_observations": 3719,
    "number_observations_unique": 3675,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.157
      },
      {
        "type": "I/SigI",
        "value": 5.300
      },
      {
        "type": "Completeness",
        "value": 1.700
      },
      {
        "type": "Redundancy",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.070,2.000],
      "number_observations_unique": 75,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.696
        },
        {
          "type": "Completeness",
          "value": 0.300
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.150,2.070],
      "number_observations_unique": 117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        },
        {
          "type": "Completeness",
          "value": 0.500
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.150],
      "number_observations_unique": 169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "Completeness",
          "value": 0.800
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.250],
      "number_observations_unique": 317,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "Completeness",
          "value": 1.400
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.370],
      "number_observations_unique": 398,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.261
        },
        {
          "type": "Completeness",
          "value": 1.800
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.520],
      "number_observations_unique": 434,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "Completeness",
          "value": 2.000
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.710],
      "number_observations_unique": 461,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.100
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [3.420,2.990],
      "number_observations_unique": 504,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.300
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [4.310,3.420],
      "number_observations_unique": 553,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 2.500
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,4.310],
      "number_observations_unique": 647,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 3.000
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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