Data quality metrics extracted from 5bst.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": "9bd33d7e2dc12812101ce8467038b65c",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 81.830,
    "b": 81.830,
    "c": 180.988,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.610],
    "number_observations": 1259529,
    "number_observations_unique": 79566,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 9.500
      },
      {
        "type": "Completeness",
        "value": 99.000
      },
      {
        "type": "Redundancy",
        "value": 15.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.670,1.610],
      "number_observations_unique": 7738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.435
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 13.900
        }
      ]
    },
    {
      "resolution_limits": [1.730,1.670],
      "number_observations_unique": 7767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.350
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 15.500
        }
      ]
    },
    {
      "resolution_limits": [1.810,1.730],
      "number_observations_unique": 7814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 15.800
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.810],
      "number_observations_unique": 7832,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 16.100
        }
      ]
    },
    {
      "resolution_limits": [2.030,1.910],
      "number_observations_unique": 7867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 16.300
        }
      ]
    },
    {
      "resolution_limits": [2.190,2.030],
      "number_observations_unique": 7910,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 16.400
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.190],
      "number_observations_unique": 7986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 16.400
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.400],
      "number_observations_unique": 8003,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 16.400
        }
      ]
    },
    {
      "resolution_limits": [3.470,2.750],
      "number_observations_unique": 8128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 16.100
        }
      ]
    },
    {
      "resolution_limits": [50.000,3.470],
      "number_observations_unique": 8521,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 15.300
        }
      ]
    }
  ]

}
  

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


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