Data quality metrics extracted from 9umi.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "04072152d3775d21f57d20f55be98da8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 146.003,
    "b": 42.223,
    "c": 67.300,
    "alpha": 90.000,
    "beta": 106.891,
    "gamma": 90.000
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.95],
    "number_observations_unique": 28454,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 153.5
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.95],
      "number_observations_unique": 1273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.99],
      "number_observations_unique": 1645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.03],
      "number_observations_unique": 1682,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.208
        }
      ]
    },
    {
      "resolution_limits": [2.13,2.08],
      "number_observations_unique": 1684,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.13],
      "number_observations_unique": 1690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.280
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.19],
      "number_observations_unique": 1697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.25],
      "number_observations_unique": 1707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.233
        }
      ]
    },
    {
      "resolution_limits": [2.41,2.33],
      "number_observations_unique": 1665,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.41],
      "number_observations_unique": 1713,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.51],
      "number_observations_unique": 1699,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.62],
      "number_observations_unique": 1688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        }
      ]
    },
    {
      "resolution_limits": [2.93,2.76],
      "number_observations_unique": 1720,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.93],
      "number_observations_unique": 1682,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        }
      ]
    },
    {
      "resolution_limits": [3.48,3.16],
      "number_observations_unique": 1725,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        }
      ]
    },
    {
      "resolution_limits": [3.98,3.48],
      "number_observations_unique": 1710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        }
      ]
    },
    {
      "resolution_limits": [5.01,3.98],
      "number_observations_unique": 1722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        }
      ]
    },
    {
      "resolution_limits": [50,5.01],
      "number_observations_unique": 1752,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        }
      ]
    }
  ]

}
  

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


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