Data quality metrics extracted from 2pxv.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": "8df00a4932609758873e264736d46572",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 129.262,
    "b": 78.039,
    "c": 32.333,
    "alpha": 90.00,
    "beta": 94.14,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.730,1.690],
    "number_observations_unique": 26201,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 5.900
      },
      {
        "type": "Completeness",
        "value": 72.600
      },
      {
        "type": "Redundancy",
        "value": 7.010
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.69],
      "number_observations": 1518,
      "number_observations_unique": 397,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.427
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 11.10
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.75],
      "number_observations": 4725,
      "number_observations_unique": 980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.475
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 27.20
        },
        {
          "type": "Redundancy",
          "value": 4.82
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.82],
      "number_observations": 8973,
      "number_observations_unique": 1557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.505
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 43.10
        },
        {
          "type": "Redundancy",
          "value": 5.76
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.90],
      "number_observations": 15213,
      "number_observations_unique": 2355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.503
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 65.60
        },
        {
          "type": "Redundancy",
          "value": 6.46
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.00],
      "number_observations": 24550,
      "number_observations_unique": 3354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.525
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 93.60
        },
        {
          "type": "Redundancy",
          "value": 7.32
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.12],
      "number_observations": 25720,
      "number_observations_unique": 3455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.535
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 95.50
        },
        {
          "type": "Redundancy",
          "value": 7.44
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.29],
      "number_observations": 25891,
      "number_observations_unique": 3482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.507
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 96.50
        },
        {
          "type": "Redundancy",
          "value": 7.44
        }
      ]
    },
    {
      "resolution_limits": [2.88,2.52],
      "number_observations": 25800,
      "number_observations_unique": 3477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.403
        },
        {
          "type": "I/SigI",
          "value": 3.7
        },
        {
          "type": "Completeness",
          "value": 97.00
        },
        {
          "type": "Redundancy",
          "value": 7.42
        }
      ]
    },
    {
      "resolution_limits": [3.63,2.88],
      "number_observations": 25899,
      "number_observations_unique": 3569,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 7.4
        },
        {
          "type": "Completeness",
          "value": 97.90
        },
        {
          "type": "Redundancy",
          "value": 7.24
        }
      ]
    },
    {
      "resolution_limits": [66.73,3.63],
      "number_observations": 26827,
      "number_observations_unique": 3575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 19.4
        },
        {
          "type": "Completeness",
          "value": 97.40
        },
        {
          "type": "Redundancy",
          "value": 7.12
        }
      ]
    }
  ]

}
  

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


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