Data quality metrics extracted from 3tvc.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": "6b701fc22165955814b98e9a32417a23",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 60.303,
    "b": 85.160,
    "c": 40.916,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [85.1,2.43],
    "number_observations_unique": 8151,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.29
      },
      {
        "type": "I/SigI",
        "value": 10.6
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 7.21
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.43],
      "number_observations_unique": 1231,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.399
        },
        {
          "type": "I/SigI",
          "value": 2.81
        },
        {
          "type": "Completeness",
          "value": 87.4
        },
        {
          "type": "Redundancy",
          "value": 6.63
        }
      ]
    },
    {
      "resolution_limits": [85.1,6.81],
      "number_observations_unique": 436,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.79
        },
        {
          "type": "I/SigI",
          "value": 24.27
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 6.23
        }
      ]
    },
    {
      "resolution_limits": [6.81,4.84],
      "number_observations_unique": 717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.139
        },
        {
          "type": "I/SigI",
          "value": 19.12
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 6.91
        }
      ]
    },
    {
      "resolution_limits": [4.84,3.96],
      "number_observations_unique": 893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 19.14
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 7.23
        }
      ]
    },
    {
      "resolution_limits": [3.96,3.43],
      "number_observations_unique": 1031,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        },
        {
          "type": "I/SigI",
          "value": 14.48
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 7.40
        }
      ]
    },
    {
      "resolution_limits": [3.43,3.07],
      "number_observations_unique": 1163,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.401
        },
        {
          "type": "I/SigI",
          "value": 9.95
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "Redundancy",
          "value": 7.45
        }
      ]
    },
    {
      "resolution_limits": [3.07,2.80],
      "number_observations_unique": 1285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.648
        },
        {
          "type": "I/SigI",
          "value": 6.67
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 7.52
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.59],
      "number_observations_unique": 1395,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.963
        },
        {
          "type": "I/SigI",
          "value": 4.72
        },
        {
          "type": "Completeness",
          "value": 98.4
        },
        {
          "type": "Redundancy",
          "value": 7.58
        }
      ]
    }
  ]

}
  

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


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