Data quality metrics extracted from 2g00.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": "585c3d616b901e0e13328af6b891b539",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 56.6,
    "b": 72.4,
    "c": 78.9,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.92,2.100],
    "number_observations_unique": 18375,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 4.800
      },
      {
        "type": "Completeness",
        "value": 96.700
      },
      {
        "type": "Redundancy",
        "value": 4.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.10],
      "number_observations_unique": 915,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 98.3
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.14],
      "number_observations_unique": 889,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.326
        }
      ]
    },
    {
      "resolution_limits": [2.21,2.17],
      "number_observations_unique": 905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.264
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.21],
      "number_observations_unique": 921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.232
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.26],
      "number_observations_unique": 908,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.219
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.31],
      "number_observations_unique": 906,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.36],
      "number_observations_unique": 939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.187
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.42],
      "number_observations_unique": 904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.48],
      "number_observations_unique": 934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.55],
      "number_observations_unique": 929,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        }
      ]
    },
    {
      "resolution_limits": [2.72,2.63],
      "number_observations_unique": 911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.72],
      "number_observations_unique": 930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        }
      ]
    },
    {
      "resolution_limits": [2.95,2.82],
      "number_observations_unique": 932,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        }
      ]
    },
    {
      "resolution_limits": [3.09,2.95],
      "number_observations_unique": 916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        }
      ]
    },
    {
      "resolution_limits": [3.28,3.09],
      "number_observations_unique": 948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        }
      ]
    },
    {
      "resolution_limits": [3.51,3.28],
      "number_observations_unique": 904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.51],
      "number_observations_unique": 931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        }
      ]
    },
    {
      "resolution_limits": [4.30,3.83],
      "number_observations_unique": 919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        }
      ]
    },
    {
      "resolution_limits": [5.17,4.30],
      "number_observations_unique": 921,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        }
      ]
    },
    {
      "resolution_limits": [8.00,5.17],
      "number_observations_unique": 913,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        }
      ]
    }
  ]

}
  

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


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