Data quality metrics extracted from 7ig9.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": "24e40355b68239117f179570fc896aa6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.31,
    "b": 73.27,
    "c": 52.60,
    "alpha": 90.00,
    "beta": 109.41,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.63,1.08],
    "number_observations": 448153,
    "number_observations_unique": 133820,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 7.70
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.14,1.08],
      "number_observations": 63329,
      "number_observations_unique": 20459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.684
        },
        {
          "type": "R(meas)",
          "value": 2.037
        },
        {
          "type": "I/SigI",
          "value": 0.59
        },
        {
          "type": "CC(1/2)",
          "value": 0.296
        }
      ]
    },
    {
      "resolution_limits": [1.22,1.14],
      "number_observations": 67518,
      "number_observations_unique": 20051,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.038
        },
        {
          "type": "R(meas)",
          "value": 1.236
        },
        {
          "type": "I/SigI",
          "value": 1.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.509
        }
      ]
    },
    {
      "resolution_limits": [1.32,1.22],
      "number_observations": 61212,
      "number_observations_unique": 18849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.755
        },
        {
          "type": "R(meas)",
          "value": 0.905
        },
        {
          "type": "I/SigI",
          "value": 1.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.624
        }
      ]
    },
    {
      "resolution_limits": [1.45,1.32],
      "number_observations": 61392,
      "number_observations_unique": 17667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.477
        },
        {
          "type": "R(meas)",
          "value": 0.565
        },
        {
          "type": "I/SigI",
          "value": 2.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.822
        }
      ]
    },
    {
      "resolution_limits": [1.62,1.45],
      "number_observations": 52881,
      "number_observations_unique": 15994,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.249
        },
        {
          "type": "R(meas)",
          "value": 0.298
        },
        {
          "type": "I/SigI",
          "value": 4.62
        },
        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.62],
      "number_observations": 50785,
      "number_observations_unique": 14278,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 9.31
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.29,1.87],
      "number_observations": 39753,
      "number_observations_unique": 11974,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 18.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.23,2.29],
      "number_observations": 33613,
      "number_observations_unique": 9354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 29.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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