Data quality metrics extracted from 9npa.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": "0c066d2fee364e502e2a5f070d4d3a4b",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 191.5,
    "b": 191.5,
    "c": 191.5,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.36999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.88,2.75],
    "number_observations_unique": 30419,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.252
      },
      {
        "type": "R(meas)",
        "value": 0.308
      },
      {
        "type": "I/SigI",
        "value": 3.75
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 23.58
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.92,2.75],
      "number_observations_unique": 4729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.689
        },
        {
          "type": "R(meas)",
          "value": 3.375
        },
        {
          "type": "CC(1/2)",
          "value": 0.085
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.92],
      "number_observations_unique": 4456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.748
        },
        {
          "type": "R(meas)",
          "value": 2.177
        },
        {
          "type": "CC(1/2)",
          "value": 0.15
        }
      ]
    },
    {
      "resolution_limits": [3.37,3.12],
      "number_observations_unique": 4218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.906
        },
        {
          "type": "R(meas)",
          "value": 1.111
        },
        {
          "type": "CC(1/2)",
          "value": 0.461
        }
      ]
    },
    {
      "resolution_limits": [3.69,3.37],
      "number_observations_unique": 3866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.468
        },
        {
          "type": "R(meas)",
          "value": 0.567
        },
        {
          "type": "CC(1/2)",
          "value": 0.774
        }
      ]
    },
    {
      "resolution_limits": [4.12,3.69],
      "number_observations_unique": 3486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "R(meas)",
          "value": 0.341
        },
        {
          "type": "CC(1/2)",
          "value": 0.911
        }
      ]
    },
    {
      "resolution_limits": [4.75,4.12],
      "number_observations_unique": 3045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.17
        },
        {
          "type": "R(meas)",
          "value": 0.206
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    },
    {
      "resolution_limits": [5.8,4.75],
      "number_observations_unique": 2598,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "R(meas)",
          "value": 0.157
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [8.15,5.80],
      "number_observations_unique": 2049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1
        },
        {
          "type": "R(meas)",
          "value": 0.121
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [47.88,8.15],
      "number_observations_unique": 1153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "R(meas)",
          "value": 0.06
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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