Data quality metrics extracted from 7ife.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": "7c5b5d59e3c7c0a45d41a5f8ef11ca1e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.34,
    "b": 72.93,
    "c": 52.53,
    "alpha": 90.00,
    "beta": 109.45,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.75,1.07],
    "number_observations": 457578,
    "number_observations_unique": 130113,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1
      },
      {
        "type": "R(meas)",
        "value": 0.118
      },
      {
        "type": "I/SigI",
        "value": 6.05
      },
      {
        "type": "Completeness",
        "value": 91.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.13,1.07],
      "number_observations": 66397,
      "number_observations_unique": 19474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.195
        },
        {
          "type": "R(meas)",
          "value": 1.412
        },
        {
          "type": "I/SigI",
          "value": 0.82
        },
        {
          "type": "CC(1/2)",
          "value": 0.464
        }
      ]
    },
    {
      "resolution_limits": [1.21,1.13],
      "number_observations": 68281,
      "number_observations_unique": 19105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.735
        },
        {
          "type": "R(meas)",
          "value": 0.864
        },
        {
          "type": "I/SigI",
          "value": 1.42
        },
        {
          "type": "CC(1/2)",
          "value": 0.679
        }
      ]
    },
    {
      "resolution_limits": [1.31,1.21],
      "number_observations": 62737,
      "number_observations_unique": 18211,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.575
        },
        {
          "type": "R(meas)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 1.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.755
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.31],
      "number_observations": 62692,
      "number_observations_unique": 17400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.368
        },
        {
          "type": "R(meas)",
          "value": 0.431
        },
        {
          "type": "I/SigI",
          "value": 2.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.887
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.43],
      "number_observations": 54384,
      "number_observations_unique": 15509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "R(meas)",
          "value": 0.251
        },
        {
          "type": "I/SigI",
          "value": 4.96
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.60],
      "number_observations": 51354,
      "number_observations_unique": 14151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.147
        },
        {
          "type": "I/SigI",
          "value": 8.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [2.27,1.85],
      "number_observations": 40484,
      "number_observations_unique": 11694,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 14.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [3.2,2.27],
      "number_observations": 33547,
      "number_observations_unique": 9415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 18.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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