Data quality metrics extracted from 2pgv.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": "4dc0492f3180fbbbabb3b1b29aa8b58b",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 52.50,
    "b": 149.26,
    "c": 78.43,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.760,1.790],
    "number_observations_unique": 27550,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 13.300
      },
      {
        "type": "Completeness",
        "value": 93.500
      },
      {
        "type": "Redundancy",
        "value": 3.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.79],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 89.10
        },
        {
          "type": "Redundancy",
          "value": 3.89
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.257
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 88.50
        },
        {
          "type": "Redundancy",
          "value": 3.85
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.93],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 88.20
        },
        {
          "type": "Redundancy",
          "value": 3.83
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.02],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 6.6
        },
        {
          "type": "Completeness",
          "value": 89.40
        },
        {
          "type": "Redundancy",
          "value": 3.83
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.12],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 8.0
        },
        {
          "type": "Completeness",
          "value": 90.70
        },
        {
          "type": "Redundancy",
          "value": 3.78
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.25],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 10.0
        },
        {
          "type": "Completeness",
          "value": 94.00
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [2.67,2.43],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Completeness",
          "value": 97.40
        },
        {
          "type": "Redundancy",
          "value": 3.99
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.67],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 17.3
        },
        {
          "type": "Completeness",
          "value": 98.80
        },
        {
          "type": "Redundancy",
          "value": 4.32
        }
      ]
    },
    {
      "resolution_limits": [3.85,3.06],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 24.8
        },
        {
          "type": "Completeness",
          "value": 98.90
        },
        {
          "type": "Redundancy",
          "value": 4.34
        }
      ]
    },
    {
      "resolution_limits": [19.76,3.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 31.8
        },
        {
          "type": "Completeness",
          "value": 99.00
        },
        {
          "type": "Redundancy",
          "value": 4.15
        }
      ]
    }
  ]

}
  

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


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