Data quality metrics extracted from 3vha.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": "234425e8c5b25434ecf97cc21ead11e8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.91,
    "b": 44.14,
    "c": 53.99,
    "alpha": 90.00,
    "beta": 115.19,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.452,1.388],
    "number_observations_unique": 45378,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 13.300
      },
      {
        "type": "Completeness",
        "value": 99.200
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.39],
      "number_observations": 9986,
      "number_observations_unique": 3193,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.54
        },
        {
          "type": "Completeness",
          "value": 95.32
        },
        {
          "type": "Redundancy",
          "value": 3.13
        }
      ]
    },
    {
      "resolution_limits": [1.46,1.42],
      "number_observations": 11920,
      "number_observations_unique": 3257,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.46
        },
        {
          "type": "Completeness",
          "value": 99.43
        },
        {
          "type": "Redundancy",
          "value": 3.66
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.46],
      "number_observations": 11625,
      "number_observations_unique": 3158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.38
        },
        {
          "type": "Completeness",
          "value": 99.26
        },
        {
          "type": "Redundancy",
          "value": 3.68
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.51],
      "number_observations": 11381,
      "number_observations_unique": 3086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29
        },
        {
          "type": "Completeness",
          "value": 99.23
        },
        {
          "type": "Redundancy",
          "value": 3.69
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.55],
      "number_observations": 11077,
      "number_observations_unique": 2997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21
        },
        {
          "type": "Completeness",
          "value": 99.41
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    },
    {
      "resolution_limits": [1.66,1.60],
      "number_observations": 10631,
      "number_observations_unique": 2880,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "Completeness",
          "value": 99.49
        },
        {
          "type": "Redundancy",
          "value": 3.69
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.66],
      "number_observations": 10287,
      "number_observations_unique": 2784,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.14
        },
        {
          "type": "Completeness",
          "value": 99.69
        },
        {
          "type": "Redundancy",
          "value": 3.70
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.72],
      "number_observations": 10066,
      "number_observations_unique": 2709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "Completeness",
          "value": 99.79
        },
        {
          "type": "Redundancy",
          "value": 3.72
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.79],
      "number_observations": 9545,
      "number_observations_unique": 2572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.87],
      "number_observations": 9261,
      "number_observations_unique": 2494,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.96],
      "number_observations": 8766,
      "number_observations_unique": 2361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.07],
      "number_observations": 8427,
      "number_observations_unique": 2259,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 99.93
        },
        {
          "type": "Redundancy",
          "value": 3.73
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.19],
      "number_observations": 7771,
      "number_observations_unique": 2085,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "Completeness",
          "value": 99.93
        },
        {
          "type": "Redundancy",
          "value": 3.73
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.35],
      "number_observations": 7285,
      "number_observations_unique": 1954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 3.73
        }
      ]
    },
    {
      "resolution_limits": [2.78,2.53],
      "number_observations": 6831,
      "number_observations_unique": 1825,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.89
        },
        {
          "type": "Redundancy",
          "value": 3.74
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.78],
      "number_observations": 6074,
      "number_observations_unique": 1631,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.87
        },
        {
          "type": "Redundancy",
          "value": 3.72
        }
      ]
    },
    {
      "resolution_limits": [3.58,3.10],
      "number_observations": 5397,
      "number_observations_unique": 1456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.86
        },
        {
          "type": "Redundancy",
          "value": 3.71
        }
      ]
    },
    {
      "resolution_limits": [4.39,3.58],
      "number_observations": 4447,
      "number_observations_unique": 1223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 99.07
        },
        {
          "type": "Redundancy",
          "value": 3.64
        }
      ]
    },
    {
      "resolution_limits": [6.21,4.39],
      "number_observations": 3369,
      "number_observations_unique": 950,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "Completeness",
          "value": 98.85
        },
        {
          "type": "Redundancy",
          "value": 3.55
        }
      ]
    },
    {
      "resolution_limits": [32.75,6.21],
      "number_observations": 1699,
      "number_observations_unique": 504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 92.26
        },
        {
          "type": "Redundancy",
          "value": 3.37
        }
      ]
    }
  ]

}
  

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


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