Data quality metrics extracted from 3s9l.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": "9305c236ae41b9b3aaabcf5039003193",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 231.676,
    "b": 231.676,
    "c": 168.955,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,3.220],
    "number_observations_unique": 74056,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 8.100
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 30.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.330,3.220],
      "number_observations_unique": 7267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.991
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 20.700
        }
      ]
    },
    {
      "resolution_limits": [3.470,3.330],
      "number_observations_unique": 7300,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.786
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.600
        }
      ]
    },
    {
      "resolution_limits": [3.630,3.470],
      "number_observations_unique": 7309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.608
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 30.000
        }
      ]
    },
    {
      "resolution_limits": [3.820,3.630],
      "number_observations_unique": 7340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 30.900
        }
      ]
    },
    {
      "resolution_limits": [4.060,3.820],
      "number_observations_unique": 7352,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.301
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.700
        }
      ]
    },
    {
      "resolution_limits": [4.370,4.060],
      "number_observations_unique": 7345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 32.800
        }
      ]
    },
    {
      "resolution_limits": [4.810,4.370],
      "number_observations_unique": 7415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 33.600
        }
      ]
    },
    {
      "resolution_limits": [5.500,4.810],
      "number_observations_unique": 7434,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 33.800
        }
      ]
    },
    {
      "resolution_limits": [6.910,5.500],
      "number_observations_unique": 7490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 33.300
        }
      ]
    },
    {
      "resolution_limits": [30.000,6.910],
      "number_observations_unique": 7804,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 31.900
        }
      ]
    }
  ]

}
  

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


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