Data quality metrics extracted from 3gff.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": "d4286a65722f487d7354104b0be1c4a7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.65,
    "b": 125.57,
    "c": 56.75,
    "alpha": 90.00,
    "beta": 117.94,
    "gamma": 90.00
  },
  "wavelengths": [0.91162,0.97824,0.97864],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.307,2.12],
    "number_observations_unique": 33406,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 8.620
      },
      {
        "type": "Completeness",
        "value": 79.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.20,2.12],
      "number_observations": 7314,
      "number_observations_unique": 6105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.276
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 77.90
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.20],
      "number_observations": 6367,
      "number_observations_unique": 5300,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.241
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 77.80
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.28],
      "number_observations": 7504,
      "number_observations_unique": 6285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 79.50
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.39],
      "number_observations": 6753,
      "number_observations_unique": 5647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 79.60
        }
      ]
    },
    {
      "resolution_limits": [2.67,2.51],
      "number_observations": 7265,
      "number_observations_unique": 6062,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 79.60
        }
      ]
    },
    {
      "resolution_limits": [2.88,2.67],
      "number_observations": 7282,
      "number_observations_unique": 6053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Completeness",
          "value": 79.60
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.88],
      "number_observations": 6968,
      "number_observations_unique": 5798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 8.4
        },
        {
          "type": "Completeness",
          "value": 79.60
        }
      ]
    },
    {
      "resolution_limits": [3.62,3.16],
      "number_observations": 7195,
      "number_observations_unique": 5986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 13.4
        },
        {
          "type": "Completeness",
          "value": 79.60
        }
      ]
    },
    {
      "resolution_limits": [4.55,3.62],
      "number_observations": 7118,
      "number_observations_unique": 5907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 19.5
        },
        {
          "type": "Completeness",
          "value": 79.00
        }
      ]
    },
    {
      "resolution_limits": [28.307,4.55],
      "number_observations": 7244,
      "number_observations_unique": 5960,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 24.0
        },
        {
          "type": "Completeness",
          "value": 78.20
        }
      ]
    }
  ]

}
  

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


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