Data quality metrics extracted from 2aj8.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": "21b2d80302ada144045062be7d9521f9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 63.11,
    "b": 118.96,
    "c": 133.76,
    "alpha": 112.79,
    "beta": 95.74,
    "gamma": 90.63
  },
  "wavelengths": [1.05000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.45,2.07],
    "number_observations_unique": 212238,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "Completeness",
        "value": 97.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.09,2.07],
      "number_observations": 5305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.444
        }
      ]
    },
    {
      "resolution_limits": [2.11,2.09],
      "number_observations": 5288,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.39
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.11],
      "number_observations": 5230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.349
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.12],
      "number_observations": 5147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.331
        }
      ]
    },
    {
      "resolution_limits": [2.16,2.14],
      "number_observations": 5328,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.296
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.16],
      "number_observations": 5305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.19],
      "number_observations": 5201,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        }
      ]
    },
    {
      "resolution_limits": [2.23,2.21],
      "number_observations": 5279,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.247
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.23],
      "number_observations": 5282,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.243
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.25],
      "number_observations": 5178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.218
        }
      ]
    },
    {
      "resolution_limits": [2.30,2.28],
      "number_observations": 5270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.30],
      "number_observations": 5357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.196
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.33],
      "number_observations": 5209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.36],
      "number_observations": 5275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.39],
      "number_observations": 5376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.42],
      "number_observations": 5212,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.45],
      "number_observations": 5273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.49],
      "number_observations": 5360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.53],
      "number_observations": 5247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.57],
      "number_observations": 5304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.61],
      "number_observations": 5300,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.65],
      "number_observations": 5330,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.70],
      "number_observations": 5357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.75],
      "number_observations": 5247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        }
      ]
    },
    {
      "resolution_limits": [2.87,2.81],
      "number_observations": 5376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.87],
      "number_observations": 5268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        }
      ]
    },
    {
      "resolution_limits": [3.01,2.94],
      "number_observations": 5409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        }
      ]
    },
    {
      "resolution_limits": [3.09,3.01],
      "number_observations": 5254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        }
      ]
    },
    {
      "resolution_limits": [3.18,3.09],
      "number_observations": 5352,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        }
      ]
    },
    {
      "resolution_limits": [3.29,3.18],
      "number_observations": 5346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        }
      ]
    },
    {
      "resolution_limits": [3.40,3.29],
      "number_observations": 5309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        }
      ]
    },
    {
      "resolution_limits": [3.54,3.40],
      "number_observations": 5387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        }
      ]
    },
    {
      "resolution_limits": [3.70,3.54],
      "number_observations": 5367,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        }
      ]
    },
    {
      "resolution_limits": [3.90,3.70],
      "number_observations": 5335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.90],
      "number_observations": 5363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        }
      ]
    },
    {
      "resolution_limits": [4.46,4.14],
      "number_observations": 5373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        }
      ]
    },
    {
      "resolution_limits": [4.91,4.46],
      "number_observations": 5342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        }
      ]
    },
    {
      "resolution_limits": [5.62,4.91],
      "number_observations": 5384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        }
      ]
    },
    {
      "resolution_limits": [7.08,5.62],
      "number_observations": 5384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        }
      ]
    },
    {
      "resolution_limits": [99.00,7.08],
      "number_observations": 5329,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        }
      ]
    }
  ]

}
  

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


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