Data quality metrics extracted from 6bxx.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": "025d6c67afd6cdb60c2ba6970c3276f6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 16.606,
    "b": 4.769,
    "c": 40.973,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.000,1.100],
    "number_observations": 32560,
    "number_observations_unique": 1269,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 8.400
      },
      {
        "type": "Completeness",
        "value": 78.900
      },
      {
        "type": "Redundancy",
        "value": 25.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.140,1.100],
      "number_observations_unique": 41,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
        },
        {
          "type": "Completeness",
          "value": 26.800
        },
        {
          "type": "Redundancy",
          "value": 4.700
        }
      ]
    },
    {
      "resolution_limits": [1.180,1.140],
      "number_observations_unique": 62,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        },
        {
          "type": "Completeness",
          "value": 38.500
        },
        {
          "type": "Redundancy",
          "value": 10.700
        }
      ]
    },
    {
      "resolution_limits": [1.240,1.180],
      "number_observations_unique": 79,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "Completeness",
          "value": 54.100
        },
        {
          "type": "Redundancy",
          "value": 16.900
        }
      ]
    },
    {
      "resolution_limits": [1.300,1.240],
      "number_observations_unique": 118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "Completeness",
          "value": 83.700
        },
        {
          "type": "Redundancy",
          "value": 22.700
        }
      ]
    },
    {
      "resolution_limits": [1.390,1.300],
      "number_observations_unique": 154,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 26.600
        }
      ]
    },
    {
      "resolution_limits": [1.490,1.390],
      "number_observations_unique": 153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 31.400
        }
      ]
    },
    {
      "resolution_limits": [1.640,1.490],
      "number_observations_unique": 148,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "Completeness",
          "value": 87.600
        },
        {
          "type": "Redundancy",
          "value": 28.500
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.640],
      "number_observations_unique": 143,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 32.800
        }
      ]
    },
    {
      "resolution_limits": [2.370,1.880],
      "number_observations_unique": 179,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 28.400
        }
      ]
    },
    {
      "resolution_limits": [100.000,2.370],
      "number_observations_unique": 192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 24.900
        }
      ]
    }
  ]

}
  

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


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