Data quality metrics extracted from 2aj7.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": "796f3330014454f9276b876d07edd860",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 108.81,
    "b": 108.81,
    "c": 82.18,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000,0.91162,0.97913,0.97929],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.14,1.67],
    "number_observations_unique": 64155,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "I/SigI",
        "value": 12.930
      },
      {
        "type": "Completeness",
        "value": 93.400
      },
      {
        "type": "Redundancy",
        "value": 6.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.67],
      "number_observations": 26467,
      "number_observations_unique": 10376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.753
        },
        {
          "type": "I/SigI",
          "value": 1.720
        },
        {
          "type": "Completeness",
          "value": 81.4
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.73],
      "number_observations": 27609,
      "number_observations_unique": 10796,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.612
        },
        {
          "type": "I/SigI",
          "value": 2.150
        }
      ]
    },
    {
      "resolution_limits": [1.88,1.80],
      "number_observations": 27878,
      "number_observations_unique": 10908,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.425
        },
        {
          "type": "I/SigI",
          "value": 2.970
        }
      ]
    },
    {
      "resolution_limits": [1.98,1.88],
      "number_observations": 29901,
      "number_observations_unique": 11709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "I/SigI",
          "value": 4.080
        }
      ]
    },
    {
      "resolution_limits": [2.10,1.98],
      "number_observations": 29935,
      "number_observations_unique": 11714,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 6.220
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.10],
      "number_observations": 32680,
      "number_observations_unique": 12778,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "I/SigI",
          "value": 9.000
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.27],
      "number_observations": 56082,
      "number_observations_unique": 11907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 13.130
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.49],
      "number_observations": 63910,
      "number_observations_unique": 12572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "I/SigI",
          "value": 16.250
        }
      ]
    },
    {
      "resolution_limits": [3.59,2.85],
      "number_observations": 63949,
      "number_observations_unique": 12614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 25.560
        }
      ]
    },
    {
      "resolution_limits": [47.14,3.59],
      "number_observations": 64162,
      "number_observations_unique": 12693,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 42.090
        }
      ]
    }
  ]

}
  

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


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