Data quality metrics extracted from 5r46.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": "5479f3285b32fb8a685db56480883ecb",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 69.447,
    "b": 69.447,
    "c": 97.863,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.050],
    "number_observations": 4389000,
    "number_observations_unique": 111717,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.109
      },
      {
        "type": "I/SigI",
        "value": 13.100
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 39.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.090,1.050],
      "number_observations_unique": 10659,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.726
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 5.000
        }
      ]
    },
    {
      "resolution_limits": [1.130,1.090],
      "number_observations_unique": 11027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.629
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 11.400
        }
      ]
    },
    {
      "resolution_limits": [1.180,1.130],
      "number_observations_unique": 11074,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.000
        }
      ]
    },
    {
      "resolution_limits": [1.240,1.180],
      "number_observations_unique": 11108,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.557
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 36.000
        }
      ]
    },
    {
      "resolution_limits": [1.320,1.240],
      "number_observations_unique": 11125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.492
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 45.200
        }
      ]
    },
    {
      "resolution_limits": [1.430,1.320],
      "number_observations_unique": 11152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.367
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 51.800
        }
      ]
    },
    {
      "resolution_limits": [1.570,1.430],
      "number_observations_unique": 11182,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.253
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 55.800
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.570],
      "number_observations_unique": 11258,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 56.900
        }
      ]
    },
    {
      "resolution_limits": [2.260,1.800],
      "number_observations_unique": 11363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 57.100
        }
      ]
    },
    {
      "resolution_limits": [50.000,2.260],
      "number_observations_unique": 11769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 46.800
        }
      ]
    }
  ]

}
  

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


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