Data quality metrics extracted from 2qnl.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": "712b0cf4b9b012d2c2f6e8afb7cb85dd",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 64.80,
    "b": 64.80,
    "c": 148.87,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97895],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.061,1.50],
    "number_observations_unique": 29769,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 34.130
      },
      {
        "type": "Completeness",
        "value": 97.000
      },
      {
        "type": "Redundancy",
        "value": 11.33
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.50],
      "number_observations": 9779,
      "number_observations_unique": 4223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Completeness",
          "value": 80.50
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.55],
      "number_observations": 20105,
      "number_observations_unique": 6057,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 7.7
        },
        {
          "type": "Completeness",
          "value": 95.50
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.62],
      "number_observations": 24173,
      "number_observations_unique": 5188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 11.4
        },
        {
          "type": "Completeness",
          "value": 98.60
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.69],
      "number_observations": 38219,
      "number_observations_unique": 5630,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 17.6
        },
        {
          "type": "Completeness",
          "value": 99.90
        }
      ]
    },
    {
      "resolution_limits": [1.89,1.78],
      "number_observations": 41173,
      "number_observations_unique": 5541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 24.6
        },
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [2.04,1.89],
      "number_observations": 42311,
      "number_observations_unique": 5746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 33.6
        },
        {
          "type": "Completeness",
          "value": 99.90
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.04],
      "number_observations": 39867,
      "number_observations_unique": 5437,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 44.4
        },
        {
          "type": "Completeness",
          "value": 99.70
        }
      ]
    },
    {
      "resolution_limits": [2.56,2.24],
      "number_observations": 39959,
      "number_observations_unique": 5510,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 53.2
        },
        {
          "type": "Completeness",
          "value": 99.30
        }
      ]
    },
    {
      "resolution_limits": [3.23,2.56],
      "number_observations": 40938,
      "number_observations_unique": 5593,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 62.8
        },
        {
          "type": "Completeness",
          "value": 98.50
        }
      ]
    },
    {
      "resolution_limits": [28.061,3.23],
      "number_observations": 40739,
      "number_observations_unique": 5520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 75.1
        },
        {
          "type": "Completeness",
          "value": 97.60
        }
      ]
    }
  ]

}
  

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


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