Data quality metrics extracted from 7ign.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": "7c3aa7ff89188c19d7dc13faec049cb9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.18,
    "b": 73.61,
    "c": 52.46,
    "alpha": 90.0,
    "beta": 109.3,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.05,1.24],
    "number_observations": 304315,
    "number_observations_unique": 88518,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.103
      },
      {
        "type": "I/SigI",
        "value": 7.62
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.31,1.24],
      "number_observations": 44675,
      "number_observations_unique": 13761,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.406
        },
        {
          "type": "R(meas)",
          "value": 1.678
        },
        {
          "type": "I/SigI",
          "value": 0.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.341
        }
      ]
    },
    {
      "resolution_limits": [1.4,1.31],
      "number_observations": 47314,
      "number_observations_unique": 13345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.922
        },
        {
          "type": "R(meas)",
          "value": 1.084
        },
        {
          "type": "I/SigI",
          "value": 1.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.537
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.40],
      "number_observations": 43831,
      "number_observations_unique": 12577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.539
        },
        {
          "type": "R(meas)",
          "value": 0.638
        },
        {
          "type": "I/SigI",
          "value": 2.13
        },
        {
          "type": "CC(1/2)",
          "value": 0.755
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.52],
      "number_observations": 38544,
      "number_observations_unique": 11491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.306
        },
        {
          "type": "R(meas)",
          "value": 0.364
        },
        {
          "type": "I/SigI",
          "value": 3.58
        },
        {
          "type": "CC(1/2)",
          "value": 0.9
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.66],
      "number_observations": 37892,
      "number_observations_unique": 10569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "R(meas)",
          "value": 0.2
        },
        {
          "type": "I/SigI",
          "value": 6.65
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.14,1.86],
      "number_observations": 32108,
      "number_observations_unique": 9368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 12.26
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.14],
      "number_observations": 26713,
      "number_observations_unique": 7836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 17.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.7,2.62],
      "number_observations": 21484,
      "number_observations_unique": 6171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 24.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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