Data quality metrics extracted from 3nuz.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": "3b0d4b8b49e0fa352ee9a0368843dbeb",
  "space_group_name": "P 32",
  "unit_cell": {
    "a": 125.612,
    "b": 125.612,
    "c": 162.639,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91837,0.97934,0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.665,2.30],
    "number_observations_unique": 126358,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 8.000
      },
      {
        "type": "Completeness",
        "value": 81.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.30],
      "number_observations": 22823,
      "number_observations_unique": 18492,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.495
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 74.40
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.38],
      "number_observations": 25729,
      "number_observations_unique": 20938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.416
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 78.30
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.48],
      "number_observations": 23923,
      "number_observations_unique": 19634,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 79.00
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.59],
      "number_observations": 25095,
      "number_observations_unique": 20822,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.244
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 79.80
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.73],
      "number_observations": 24462,
      "number_observations_unique": 20432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 80.60
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.90],
      "number_observations": 24236,
      "number_observations_unique": 20474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.123
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 81.80
        }
      ]
    },
    {
      "resolution_limits": [3.43,3.12],
      "number_observations": 24540,
      "number_observations_unique": 20979,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 7.8
        },
        {
          "type": "Completeness",
          "value": 83.00
        }
      ]
    },
    {
      "resolution_limits": [3.93,3.43],
      "number_observations": 25065,
      "number_observations_unique": 21782,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 12.7
        },
        {
          "type": "Completeness",
          "value": 84.40
        }
      ]
    },
    {
      "resolution_limits": [4.93,3.93],
      "number_observations": 24568,
      "number_observations_unique": 21755,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 18.3
        },
        {
          "type": "Completeness",
          "value": 86.30
        }
      ]
    },
    {
      "resolution_limits": [29.665,4.93],
      "number_observations": 25120,
      "number_observations_unique": 22946,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 21.7
        },
        {
          "type": "Completeness",
          "value": 88.50
        }
      ]
    }
  ]

}
  

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


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