Data quality metrics extracted from 4nlt.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": "0a4a2051d49acd9d3b76615be9502221",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 129.376,
    "b": 129.376,
    "c": 111.931,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.500],
    "number_observations_unique": 36788,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.180
      },
      {
        "type": "I/SigI",
        "value": 7.300
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 7.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.590,2.500],
      "number_observations": 25007,
      "number_observations_unique": 3697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.358
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.760
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.590],
      "number_observations": 24988,
      "number_observations_unique": 3642,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.337
        },
        {
          "type": "I/SigI",
          "value": 3.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.860
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.690],
      "number_observations": 25713,
      "number_observations_unique": 3661,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        },
        {
          "type": "I/SigI",
          "value": 3.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.020
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.820],
      "number_observations": 26241,
      "number_observations_unique": 3656,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.298
        },
        {
          "type": "I/SigI",
          "value": 4.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.170
        }
      ]
    },
    {
      "resolution_limits": [3.150,2.960],
      "number_observations": 26707,
      "number_observations_unique": 3660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        },
        {
          "type": "I/SigI",
          "value": 4.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.290
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.150],
      "number_observations": 27391,
      "number_observations_unique": 3697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "I/SigI",
          "value": 6.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.360
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.390],
      "number_observations": 27261,
      "number_observations_unique": 3677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.205
        },
        {
          "type": "I/SigI",
          "value": 8.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.370
        }
      ]
    },
    {
      "resolution_limits": [4.270,3.730],
      "number_observations": 27651,
      "number_observations_unique": 3687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "I/SigI",
          "value": 10.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.420
        }
      ]
    },
    {
      "resolution_limits": [5.380,4.270],
      "number_observations": 27857,
      "number_observations_unique": 3690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 12.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.420
        }
      ]
    },
    {
      "resolution_limits": [29.940,5.380],
      "number_observations": 28167,
      "number_observations_unique": 3721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 16.600
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 7.340
        }
      ]
    }
  ]

}
  

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


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