Data quality metrics extracted from 4oo2.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": "ef1cf53840c1a03f756c6fa2afad355e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 99.156,
    "b": 173.729,
    "c": 113.859,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91165],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.68,2.63],
    "number_observations_unique": 108116,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.274
      },
      {
        "type": "I/SigI",
        "value": 3.8
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 2.75
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.810,2.630],
      "number_observations": 27420,
      "number_observations_unique": 17261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 97.000
        }
      ]
    },
    {
      "resolution_limits": [3.030,2.810],
      "number_observations": 49143,
      "number_observations_unique": 19934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 0.930
        },
        {
          "type": "Completeness",
          "value": 96.800
        }
      ]
    },
    {
      "resolution_limits": [3.320,3.030],
      "number_observations": 51689,
      "number_observations_unique": 18490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 1.680
        },
        {
          "type": "Completeness",
          "value": 96.200
        }
      ]
    },
    {
      "resolution_limits": [3.710,3.320],
      "number_observations": 47520,
      "number_observations_unique": 16871,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 3.240
        },
        {
          "type": "Completeness",
          "value": 95.000
        }
      ]
    },
    {
      "resolution_limits": [4.280,3.710],
      "number_observations": 42595,
      "number_observations_unique": 15135,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 5.780
        },
        {
          "type": "Completeness",
          "value": 94.000
        }
      ]
    },
    {
      "resolution_limits": [5.230,4.280],
      "number_observations": 36969,
      "number_observations_unique": 13168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 7.900
        },
        {
          "type": "Completeness",
          "value": 93.500
        }
      ]
    },
    {
      "resolution_limits": [7.350,5.230],
      "number_observations": 31195,
      "number_observations_unique": 11102,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 8.660
        },
        {
          "type": "Completeness",
          "value": 93.700
        }
      ]
    },
    {
      "resolution_limits": [47.675,7.350],
      "number_observations": 24531,
      "number_observations_unique": 8605,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "I/SigI",
          "value": 13.910
        },
        {
          "type": "Completeness",
          "value": 93.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 47.680 47.675 3.030
High resolution limit [Å] 2.630 7.350 2.810
R(merge) 0.2740 0.0250 0.0250
Completeness [%] 95.4 93.0 96.8
Multiplicity 2.8 - -


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

Resolution [Å] R(merge) Completeness [%]
47.675-7.350 0.0250 93.0
7.350-5.230 0.0250 93.7
5.230-4.280 0.0250 93.5
4.280-3.710 0.0250 94.0
3.710-3.320 0.0250 95.0
3.320-3.030 0.0250 96.2
3.030-2.810 0.0250 96.8
2.810-2.630 0.0250 97.0