Data quality metrics extracted from 6pae.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": "1ee1227a7f9d9b05e158aa1ecb40628f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 106.159,
    "b": 90.400,
    "c": 127.359,
    "alpha": 90.00,
    "beta": 91.88,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.599],
    "number_observations_unique": 136750,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 15.100
      },
      {
        "type": "Completeness",
        "value": 85.800
      },
      {
        "type": "Redundancy",
        "value": 2.92
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.660,1.599],
      "number_observations_unique": 12933,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.335
        },
        {
          "type": "Completeness",
          "value": 81.600
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.660],
      "number_observations_unique": 13482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "Completeness",
          "value": 85.000
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.720],
      "number_observations_unique": 13762,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.228
        },
        {
          "type": "Completeness",
          "value": 86.300
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.800],
      "number_observations_unique": 13405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "Completeness",
          "value": 84.500
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.900],
      "number_observations_unique": 13196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "Completeness",
          "value": 83.100
        }
      ]
    },
    {
      "resolution_limits": [2.170,2.020],
      "number_observations_unique": 12995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "Completeness",
          "value": 81.500
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.170],
      "number_observations_unique": 12795,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "Completeness",
          "value": 80.500
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.390],
      "number_observations_unique": 13293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "Completeness",
          "value": 83.300
        }
      ]
    },
    {
      "resolution_limits": [3.450,2.740],
      "number_observations_unique": 14924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "Completeness",
          "value": 93.300
        }
      ]
    },
    {
      "resolution_limits": [30.000,3.450],
      "number_observations_unique": 15965,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "Completeness",
          "value": 98.600
        }
      ]
    }
  ]

}
  

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


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