Data quality metrics extracted from 2pc1.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": "9a4dc4d029640af5dc091f83580815df",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.48,
    "b": 37.65,
    "c": 41.50,
    "alpha": 94.22,
    "beta": 109.42,
    "gamma": 113.08
  },
  "wavelengths": [0.91162,0.97939],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.959,1.28],
    "number_observations_unique": 73297,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 9.99
      },
      {
        "type": "Completeness",
        "value": 78.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.33,1.28],
      "number_observations": 2396,
      "number_observations_unique": 2499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        },
        {
          "type": "I/SigI",
          "value": 1.62
        },
        {
          "type": "Completeness",
          "value": 28.20
        }
      ]
    },
    {
      "resolution_limits": [1.38,1.33],
      "number_observations": 3324,
      "number_observations_unique": 3396,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.351
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 38.60
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.38],
      "number_observations": 4788,
      "number_observations_unique": 4917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 54.90
        }
      ]
    },
    {
      "resolution_limits": [1.52,1.44],
      "number_observations": 7986,
      "number_observations_unique": 7971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 82.00
        }
      ]
    },
    {
      "resolution_limits": [1.61,1.52],
      "number_observations": 7984,
      "number_observations_unique": 8049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 89.40
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.61],
      "number_observations": 8942,
      "number_observations_unique": 8922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 7.0
        },
        {
          "type": "Completeness",
          "value": 91.80
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.74],
      "number_observations": 8236,
      "number_observations_unique": 8388,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 10.1
        },
        {
          "type": "Completeness",
          "value": 92.70
        }
      ]
    },
    {
      "resolution_limits": [2.19,1.91],
      "number_observations": 8796,
      "number_observations_unique": 8925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 15.0
        },
        {
          "type": "Completeness",
          "value": 93.90
        }
      ]
    },
    {
      "resolution_limits": [25.959,2.19],
      "number_observations": 8610,
      "number_observations_unique": 8840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 18.6
        },
        {
          "type": "Completeness",
          "value": 94.30
        }
      ]
    }
  ]

}
  

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


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