Data quality metrics extracted from 2q1l.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": "6c12af53bffc4a518bc2dffb314bd502",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 74.732,
    "b": 176.958,
    "c": 76.735,
    "alpha": 90.00,
    "beta": 118.83,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,2.050],
    "number_observations_unique": 79035,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 9.500
      },
      {
        "type": "Completeness",
        "value": 73.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.13,2.05],
      "number_observations_unique": 7330,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "Completeness",
          "value": 68.40
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.13],
      "number_observations_unique": 7029,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.506
        },
        {
          "type": "Completeness",
          "value": 65.60
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.22],
      "number_observations_unique": 5355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "Completeness",
          "value": 50.10
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.32],
      "number_observations_unique": 7283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        },
        {
          "type": "Completeness",
          "value": 68.00
        }
      ]
    },
    {
      "resolution_limits": [2.60,2.44],
      "number_observations_unique": 7530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "Completeness",
          "value": 70.20
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.60],
      "number_observations_unique": 8317,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "Completeness",
          "value": 77.50
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.80],
      "number_observations_unique": 9539,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "Completeness",
          "value": 88.70
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.08],
      "number_observations_unique": 10399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "Completeness",
          "value": 96.50
        }
      ]
    },
    {
      "resolution_limits": [4.43,3.52],
      "number_observations_unique": 6169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "Completeness",
          "value": 57.50
        }
      ]
    },
    {
      "resolution_limits": [30.00,4.43],
      "number_observations_unique": 10084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "Completeness",
          "value": 92.60
        }
      ]
    }
  ]

}
  

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


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