Data quality metrics extracted from 9np9.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "61ac1acfe3eb00a95e746128d93b72ef",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 190.913,
    "b": 190.913,
    "c": 190.913,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.36999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.73,2.6],
    "number_observations_unique": 35630,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.281
      },
      {
        "type": "R(meas)",
        "value": 0.318
      },
      {
        "type": "I/SigI",
        "value": 4.74
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 40.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.76,2.60],
      "number_observations_unique": 5608,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.767
        },
        {
          "type": "R(meas)",
          "value": 3.118
        },
        {
          "type": "CC(1/2)",
          "value": 0.09
        }
      ]
    },
    {
      "resolution_limits": [2.95,2.76],
      "number_observations_unique": 5357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.717
        },
        {
          "type": "R(meas)",
          "value": 1.938
        },
        {
          "type": "CC(1/2)",
          "value": 0.261
        }
      ]
    },
    {
      "resolution_limits": [3.18,2.95],
      "number_observations_unique": 4995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.982
        },
        {
          "type": "R(meas)",
          "value": 1.111
        },
        {
          "type": "CC(1/2)",
          "value": 0.531
        }
      ]
    },
    {
      "resolution_limits": [3.48,3.18],
      "number_observations_unique": 4558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.492
        },
        {
          "type": "R(meas)",
          "value": 0.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.827
        }
      ]
    },
    {
      "resolution_limits": [3.89,3.48],
      "number_observations_unique": 4206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.257
        },
        {
          "type": "R(meas)",
          "value": 0.29
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [4.49,3.89],
      "number_observations_unique": 3687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(meas)",
          "value": 0.179
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [5.49,4.49],
      "number_observations_unique": 3155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "R(meas)",
          "value": 0.147
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [7.71,5.49],
      "number_observations_unique": 2472,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.142
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [47.73,7.71],
      "number_observations_unique": 1428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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