Data quality metrics extracted from 3nds.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": "fc6852d2aa2804dcc665092bd40e5b1e",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 40.666,
    "b": 40.666,
    "c": 72.197,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.83,1.20],
    "number_observations_unique": 19396,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 28.1
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 13.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.26,1.20],
      "number_observations_unique": 2592,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.646
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 93.9
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [1.34,1.26],
      "number_observations_unique": 2643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.488
        },
        {
          "type": "I/SigI",
          "value": 5.9
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 13.3
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.34],
      "number_observations_unique": 2486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.322
        },
        {
          "type": "I/SigI",
          "value": 10.0
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 14.8
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.43],
      "number_observations_unique": 2486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        },
        {
          "type": "I/SigI",
          "value": 16.9
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 14.8
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.55],
      "number_observations_unique": 2183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "I/SigI",
          "value": 27.9
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.7
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.70],
      "number_observations_unique": 1967,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 39.1
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.6
        }
      ]
    },
    {
      "resolution_limits": [2.19,1.90],
      "number_observations_unique": 1769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 54.0
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.3
        }
      ]
    },
    {
      "resolution_limits": [2.68,2.19],
      "number_observations_unique": 1521,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 61.3
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 13.8
        }
      ]
    },
    {
      "resolution_limits": [3.79,2.68],
      "number_observations_unique": 1203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 69.5
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 12.9
        }
      ]
    },
    {
      "resolution_limits": [40.83,3.79],
      "number_observations_unique": 693,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 67.8
        },
        {
          "type": "Completeness",
          "value": 94.7
        },
        {
          "type": "Redundancy",
          "value": 11.4
        }
      ]
    }
  ]

}
  

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


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