Data quality metrics extracted from 9npd.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": "e395283fa2e3b3862e9941da7b76bb44",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 222.906,
    "b": 222.906,
    "c": 151.360,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.36999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.02,3.05],
    "number_observations_unique": 82584,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.241
      },
      {
        "type": "R(meas)",
        "value": 0.297
      },
      {
        "type": "I/SigI",
        "value": 3.24
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 19.72
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.23,3.05],
      "number_observations_unique": 12530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.713
        },
        {
          "type": "R(meas)",
          "value": 3.356
        },
        {
          "type": "CC(1/2)",
          "value": 0.212
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.23],
      "number_observations_unique": 11455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.422
        },
        {
          "type": "R(meas)",
          "value": 1.765
        },
        {
          "type": "CC(1/2)",
          "value": 0.454
        }
      ]
    },
    {
      "resolution_limits": [3.73,3.46],
      "number_observations_unique": 11071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.732
        },
        {
          "type": "R(meas)",
          "value": 0.908
        },
        {
          "type": "CC(1/2)",
          "value": 0.752
        }
      ]
    },
    {
      "resolution_limits": [4.09,3.73],
      "number_observations_unique": 10163,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.425
        },
        {
          "type": "R(meas)",
          "value": 0.52
        },
        {
          "type": "CC(1/2)",
          "value": 0.902
        }
      ]
    },
    {
      "resolution_limits": [4.56,4.09],
      "number_observations_unique": 8966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.243
        },
        {
          "type": "R(meas)",
          "value": 0.299
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [5.26,4.56],
      "number_observations_unique": 7635,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        },
        {
          "type": "R(meas)",
          "value": 0.22
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [6.43,5.26],
      "number_observations_unique": 6274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [9.01,6.43],
      "number_observations_unique": 4825,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "R(meas)",
          "value": 0.101
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    },
    {
      "resolution_limits": [49.02,9.01],
      "number_observations_unique": 2710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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


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