Data quality metrics extracted from 3pvq.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": "07de1844a0a97db1235eb9c3271188fe",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 64.919,
    "b": 50.295,
    "c": 107.562,
    "alpha": 90.0,
    "beta": 93.5,
    "gamma": 90.0
  },
  "wavelengths": [0.95370,0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.159,2.10],
    "number_observations_unique": 40250,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 6.890
      },
      {
        "type": "Completeness",
        "value": 91.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.170,2.100],
      "number_observations": 8951,
      "number_observations_unique": 6398,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.374
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 86.600
        }
      ]
    },
    {
      "resolution_limits": [2.260,2.170],
      "number_observations": 10196,
      "number_observations_unique": 7304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.310
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 88.600
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.260],
      "number_observations": 9658,
      "number_observations_unique": 6936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 89.800
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.360],
      "number_observations": 10568,
      "number_observations_unique": 7613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 90.900
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.490],
      "number_observations": 9619,
      "number_observations_unique": 6958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 91.000
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.640],
      "number_observations": 10173,
      "number_observations_unique": 7389,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 90.700
        }
      ]
    },
    {
      "resolution_limits": [3.130,2.850],
      "number_observations": 9794,
      "number_observations_unique": 7159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 6.2
        },
        {
          "type": "Completeness",
          "value": 91.900
        }
      ]
    },
    {
      "resolution_limits": [3.590,3.130],
      "number_observations": 9975,
      "number_observations_unique": 7384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 10.3
        },
        {
          "type": "Completeness",
          "value": 91.100
        }
      ]
    },
    {
      "resolution_limits": [4.510,3.590],
      "number_observations": 9767,
      "number_observations_unique": 7250,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 16.4
        },
        {
          "type": "Completeness",
          "value": 92.500
        }
      ]
    },
    {
      "resolution_limits": [29.159,4.510],
      "number_observations": 10321,
      "number_observations_unique": 7701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 18.8
        },
        {
          "type": "Completeness",
          "value": 96.100
        }
      ]
    }
  ]

}
  

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


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