Data quality metrics extracted from 4nix.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": "a9e662f8e4476124cdd04c0233c5e2ca",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 54.404,
    "b": 58.550,
    "c": 67.316,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.1770,1.300],
    "number_observations_unique": 51902,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 25.200
      },
      {
        "type": "Completeness",
        "value": 96.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.380,1.300],
      "number_observations": 36426,
      "number_observations_unique": 7052,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "I/SigI",
          "value": 5.550
        },
        {
          "type": "Completeness",
          "value": 82.300
        }
      ]
    },
    {
      "resolution_limits": [1.470,1.380],
      "number_observations": 55713,
      "number_observations_unique": 7942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 9.970
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    },
    {
      "resolution_limits": [1.590,1.470],
      "number_observations": 54791,
      "number_observations_unique": 7460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 15.320
        },
        {
          "type": "Completeness",
          "value": 99.200
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.590],
      "number_observations": 50757,
      "number_observations_unique": 6888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 21.310
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [1.950,1.740],
      "number_observations": 46094,
      "number_observations_unique": 6284,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 29.620
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [2.250,1.950],
      "number_observations": 40853,
      "number_observations_unique": 5582,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 39.340
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.250],
      "number_observations": 34717,
      "number_observations_unique": 4778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 45.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.880,2.750],
      "number_observations": 26580,
      "number_observations_unique": 3746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 51.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [44.1770,3.880],
      "number_observations": 14533,
      "number_observations_unique": 2170,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 53.190
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    }
  ]

}
  

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


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