Data quality metrics extracted from 3rza.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": "b272304c50724f751c91afff99d86ebf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.996,
    "b": 57.805,
    "c": 79.857,
    "alpha": 89.67,
    "beta": 73.38,
    "gamma": 72.36
  },
  "wavelengths": [0.91162,0.97936,0.97911],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.517,2.10],
    "number_observations_unique": 43307,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "I/SigI",
        "value": 4.890
      },
      {
        "type": "Completeness",
        "value": 88.600
      },
      {
        "type": "Redundancy",
        "value": 1.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.160,2.090],
      "number_observations": 6924,
      "number_observations_unique": 6269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.657
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 73.400
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.160],
      "number_observations": 9060,
      "number_observations_unique": 8243,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.453
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 87.400
        }
      ]
    },
    {
      "resolution_limits": [2.350,2.250],
      "number_observations": 8560,
      "number_observations_unique": 7823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.408
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 87.900
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.350],
      "number_observations": 9128,
      "number_observations_unique": 8375,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.322
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 88.300
        }
      ]
    },
    {
      "resolution_limits": [2.630,2.480],
      "number_observations": 8441,
      "number_observations_unique": 7774,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.253
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 89.100
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.630],
      "number_observations": 8696,
      "number_observations_unique": 8067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 90.100
        }
      ]
    },
    {
      "resolution_limits": [3.120,2.830],
      "number_observations": 8985,
      "number_observations_unique": 8374,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "I/SigI",
          "value": 4.8
        },
        {
          "type": "Completeness",
          "value": 90.200
        }
      ]
    },
    {
      "resolution_limits": [3.570,3.120],
      "number_observations": 8774,
      "number_observations_unique": 8263,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 7.0
        },
        {
          "type": "Completeness",
          "value": 91.700
        }
      ]
    },
    {
      "resolution_limits": [4.490,3.570],
      "number_observations": 8835,
      "number_observations_unique": 8394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 10.1
        },
        {
          "type": "Completeness",
          "value": 92.600
        }
      ]
    },
    {
      "resolution_limits": [29.250,4.490],
      "number_observations": 8883,
      "number_observations_unique": 8605,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 11.6
        },
        {
          "type": "Completeness",
          "value": 94.400
        }
      ]
    }
  ]

}
  

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


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