Data quality metrics extracted from 4m99.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": "055affcbbec3f82dc45c0cba347f3d2a",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 97.66,
    "b": 97.66,
    "c": 173.91,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [86.955,2.600],
    "number_observations_unique": 26704,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "I/SigI",
        "value": 19.000
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 23.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.740,2.600],
      "number_observations": 87305,
      "number_observations_unique": 3807,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.508
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 22.900
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.740],
      "number_observations": 86710,
      "number_observations_unique": 3620,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "I/SigI",
          "value": 2.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.000
        }
      ]
    },
    {
      "resolution_limits": [3.110,2.910],
      "number_observations": 79501,
      "number_observations_unique": 3389,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 3.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.500
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.110],
      "number_observations": 74717,
      "number_observations_unique": 3204,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "I/SigI",
          "value": 4.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.300
        }
      ]
    },
    {
      "resolution_limits": [3.680,3.360],
      "number_observations": 69202,
      "number_observations_unique": 2934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 4.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.600
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.680],
      "number_observations": 62614,
      "number_observations_unique": 2695,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 5.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.200
        }
      ]
    },
    {
      "resolution_limits": [4.750,4.110],
      "number_observations": 55028,
      "number_observations_unique": 2394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 4.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.000
        }
      ]
    },
    {
      "resolution_limits": [5.810,4.750],
      "number_observations": 47085,
      "number_observations_unique": 2047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 5.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.000
        }
      ]
    },
    {
      "resolution_limits": [8.220,5.810],
      "number_observations": 36761,
      "number_observations_unique": 1631,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 6.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 22.500
        }
      ]
    },
    {
      "resolution_limits": [86.955,8.220],
      "number_observations": 19812,
      "number_observations_unique": 983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 10.200
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 20.200
        }
      ]
    }
  ]

}
  

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


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