Data quality metrics extracted from 3ans.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": "b5c7848915f0aec907d9d3f54572152e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 129.63,
    "b": 80.35,
    "c": 88.69,
    "alpha": 90.0,
    "beta": 126.2,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.180,1.980],
    "number_observations_unique": 50573,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 16.800
      },
      {
        "type": "Completeness",
        "value": 98.700
      },
      {
        "type": "Redundancy",
        "value": 3.770
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.050,1.980],
      "number_observations": 18952,
      "number_observations_unique": 5037,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "I/SigI",
          "value": 5.8
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.760
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.050],
      "number_observations": 19391,
      "number_observations_unique": 5072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.123
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.820
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.130],
      "number_observations": 19266,
      "number_observations_unique": 5039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "I/SigI",
          "value": 8.0
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.820
        }
      ]
    },
    {
      "resolution_limits": [2.350,2.230],
      "number_observations": 19409,
      "number_observations_unique": 5076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 10.1
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.820
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.350],
      "number_observations": 19412,
      "number_observations_unique": 5070,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 11.9
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.820
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.490],
      "number_observations": 19529,
      "number_observations_unique": 5098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 14.7
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.820
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.690],
      "number_observations": 19585,
      "number_observations_unique": 5120,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 18.4
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.810
        }
      ]
    },
    {
      "resolution_limits": [3.390,2.960],
      "number_observations": 19429,
      "number_observations_unique": 5076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 25.6
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.790
        }
      ]
    },
    {
      "resolution_limits": [4.260,3.390],
      "number_observations": 19466,
      "number_observations_unique": 5135,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 32.6
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.710
        }
      ]
    },
    {
      "resolution_limits": [40.180,4.260],
      "number_observations": 17710,
      "number_observations_unique": 4850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 36.7
        },
        {
          "type": "Completeness",
          "value": 92.900
        },
        {
          "type": "Redundancy",
          "value": 3.530
        }
      ]
    }
  ]

}
  

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


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