Data quality metrics extracted from 2b8m.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": "5e4e09db4725a589c684ff31836d907e",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 49.83,
    "b": 49.83,
    "c": 78.74,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97960,0.97970,1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.08,1.70],
    "number_observations_unique": 12267,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 7.840
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 3.48
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations": 3933,
      "number_observations_unique": 2106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 2.230
        },
        {
          "type": "Completeness",
          "value": 97.2
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.76],
      "number_observations": 4196,
      "number_observations_unique": 2224,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 2.720
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.83],
      "number_observations": 4119,
      "number_observations_unique": 2182,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 3.570
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.91],
      "number_observations": 4705,
      "number_observations_unique": 2502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 4.870
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.02],
      "number_observations": 4133,
      "number_observations_unique": 2198,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 6.070
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.14],
      "number_observations": 4608,
      "number_observations_unique": 2444,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 7.390
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.31],
      "number_observations": 4421,
      "number_observations_unique": 2325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 9.260
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.54],
      "number_observations": 4454,
      "number_observations_unique": 2352,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 10.390
        }
      ]
    },
    {
      "resolution_limits": [3.66,2.90],
      "number_observations": 4510,
      "number_observations_unique": 2410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 13.240
        }
      ]
    },
    {
      "resolution_limits": [29.08,3.66],
      "number_observations": 4475,
      "number_observations_unique": 2358,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "I/SigI",
          "value": 17.450
        }
      ]
    }
  ]

}
  

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


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