Data quality metrics extracted from 3ntc.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": "74feba2e2eb57651699186b275ef7f68",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 61.06,
    "b": 69.18,
    "c": 111.76,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.750,1.550],
    "number_observations_unique": 68504,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 11.000
      },
      {
        "type": "Completeness",
        "value": 88.400
      },
      {
        "type": "Redundancy",
        "value": 5.560
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.610,1.550],
      "number_observations": 30153,
      "number_observations_unique": 5995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.485
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 87.100
        },
        {
          "type": "Redundancy",
          "value": 5.020
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.610],
      "number_observations": 30664,
      "number_observations_unique": 5996,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 88.000
        },
        {
          "type": "Redundancy",
          "value": 5.110
        }
      ]
    },
    {
      "resolution_limits": [1.750,1.670],
      "number_observations": 31516,
      "number_observations_unique": 5984,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.344
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 86.900
        },
        {
          "type": "Redundancy",
          "value": 5.260
        }
      ]
    },
    {
      "resolution_limits": [1.840,1.750],
      "number_observations": 32115,
      "number_observations_unique": 5829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.250
        },
        {
          "type": "I/SigI",
          "value": 4.5
        },
        {
          "type": "Completeness",
          "value": 85.400
        },
        {
          "type": "Redundancy",
          "value": 5.500
        }
      ]
    },
    {
      "resolution_limits": [1.950,1.840],
      "number_observations": 33372,
      "number_observations_unique": 5758,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "I/SigI",
          "value": 6.0
        },
        {
          "type": "Completeness",
          "value": 83.300
        },
        {
          "type": "Redundancy",
          "value": 5.790
        }
      ]
    },
    {
      "resolution_limits": [2.100,1.950],
      "number_observations": 33503,
      "number_observations_unique": 5797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 8.8
        },
        {
          "type": "Completeness",
          "value": 83.800
        },
        {
          "type": "Redundancy",
          "value": 5.770
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.100],
      "number_observations": 32859,
      "number_observations_unique": 5862,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 11.6
        },
        {
          "type": "Completeness",
          "value": 84.900
        },
        {
          "type": "Redundancy",
          "value": 5.590
        }
      ]
    },
    {
      "resolution_limits": [2.650,2.310],
      "number_observations": 34690,
      "number_observations_unique": 6167,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 13.7
        },
        {
          "type": "Completeness",
          "value": 88.400
        },
        {
          "type": "Redundancy",
          "value": 5.610
        }
      ]
    },
    {
      "resolution_limits": [3.330,2.650],
      "number_observations": 39000,
      "number_observations_unique": 6828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 19.4
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 5.680
        }
      ]
    },
    {
      "resolution_limits": [19.750,3.330],
      "number_observations": 45527,
      "number_observations_unique": 7135,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 28.2
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 6.110
        }
      ]
    }
  ]

}
  

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


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