Data quality metrics extracted from 2q30.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": "27eb496fc86b9c9ee6309dafa000bee4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.14,
    "b": 133.95,
    "c": 74.66,
    "alpha": 90.00,
    "beta": 93.04,
    "gamma": 90.00
  },
  "wavelengths": [1.00000,0.98030],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.025,1.94],
    "number_observations_unique": 60310,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 8.450
      },
      {
        "type": "Completeness",
        "value": 81.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.94],
      "number_observations": 11800,
      "number_observations_unique": 7201,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.317
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 57.00
        }
      ]
    },
    {
      "resolution_limits": [2.09,2.01],
      "number_observations": 19617,
      "number_observations_unique": 10064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 81.50
        }
      ]
    },
    {
      "resolution_limits": [2.18,2.09],
      "number_observations": 19992,
      "number_observations_unique": 9846,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 82.20
        }
      ]
    },
    {
      "resolution_limits": [2.30,2.18],
      "number_observations": 22535,
      "number_observations_unique": 10810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 82.80
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.30],
      "number_observations": 21975,
      "number_observations_unique": 10176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "I/SigI",
          "value": 5.8
        },
        {
          "type": "Completeness",
          "value": 83.50
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.44],
      "number_observations": 23637,
      "number_observations_unique": 10638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 7.4
        },
        {
          "type": "Completeness",
          "value": 84.20
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.63],
      "number_observations": 23742,
      "number_observations_unique": 10845,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 9.2
        },
        {
          "type": "Completeness",
          "value": 84.60
        }
      ]
    },
    {
      "resolution_limits": [3.31,2.90],
      "number_observations": 22591,
      "number_observations_unique": 10476,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 11.8
        },
        {
          "type": "Completeness",
          "value": 85.60
        }
      ]
    },
    {
      "resolution_limits": [4.17,3.31],
      "number_observations": 23160,
      "number_observations_unique": 10873,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 15.2
        },
        {
          "type": "Completeness",
          "value": 86.40
        }
      ]
    },
    {
      "resolution_limits": [29.025,4.17],
      "number_observations": 22884,
      "number_observations_unique": 10983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 16.7
        },
        {
          "type": "Completeness",
          "value": 87.10
        }
      ]
    }
  ]

}
  

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


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