Data quality metrics extracted from 9lsd.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": "9b4719a446ebec5b33db9096c85d0834",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 85.669,
    "b": 85.669,
    "c": 63.359,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.16,2.01],
    "number_observations_unique": 17734,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "I/SigI",
        "value": 8.25
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 5.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.9890000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.13,2.01],
      "number_observations_unique": 2857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.489
        },
        {
          "type": "R(meas)",
          "value": 0.544
        },
        {
          "type": "CC(1/2)",
          "value": 0.8959999999999999
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.13],
      "number_observations_unique": 2658,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.335
        },
        {
          "type": "R(meas)",
          "value": 0.375
        },
        {
          "type": "CC(1/2)",
          "value": 0.93
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.27],
      "number_observations_unique": 2505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.259
        },
        {
          "type": "R(meas)",
          "value": 0.287
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.46],
      "number_observations_unique": 2322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19899999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.222
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [3.01,2.69],
      "number_observations_unique": 2080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.9790000000000001
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.01],
      "number_observations_unique": 1836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        },
        {
          "type": "R(meas)",
          "value": 0.12300000000000001
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [4.24,3.47],
      "number_observations_unique": 1577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09300000000000001
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [5.98,4.24],
      "number_observations_unique": 1211,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "R(meas)",
          "value": 0.10099999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.9840000000000001
        }
      ]
    },
    {
      "resolution_limits": [32.16,5.98],
      "number_observations_unique": 688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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