Data quality metrics extracted from 2h1t.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": "9806ce888c694a35cc8fa7ff9d6763a3",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 130.03,
    "b": 41.90,
    "c": 78.65,
    "alpha": 90.00,
    "beta": 91.22,
    "gamma": 90.00
  },
  "wavelengths": [0.97929,0.91162,0.97894],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.27,1.800],
    "number_observations_unique": 38719,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 7.08
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 3.52
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.80],
      "number_observations": 6413,
      "number_observations_unique": 4637,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.494
        },
        {
          "type": "I/SigI",
          "value": 1.39
        },
        {
          "type": "Completeness",
          "value": 78.70
        }
      ]
    },
    {
      "resolution_limits": [1.94,1.86],
      "number_observations": 9516,
      "number_observations_unique": 6021,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 72.70
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.94],
      "number_observations": 13317,
      "number_observations_unique": 6981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 89.70
        }
      ]
    },
    {
      "resolution_limits": [2.13,2.03],
      "number_observations": 12855,
      "number_observations_unique": 6687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "I/SigI",
          "value": 3.9
        },
        {
          "type": "Completeness",
          "value": 92.40
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.13],
      "number_observations": 13871,
      "number_observations_unique": 7246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 90.50
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.27],
      "number_observations": 13604,
      "number_observations_unique": 7077,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Completeness",
          "value": 94.30
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.44],
      "number_observations": 14661,
      "number_observations_unique": 7616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 7.5
        },
        {
          "type": "Completeness",
          "value": 97.40
        }
      ]
    },
    {
      "resolution_limits": [3.07,2.69],
      "number_observations": 14210,
      "number_observations_unique": 7355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 10.4
        },
        {
          "type": "Completeness",
          "value": 98.00
        }
      ]
    },
    {
      "resolution_limits": [28.27,3.07],
      "number_observations": 14639,
      "number_observations_unique": 7605,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 13.9
        },
        {
          "type": "Completeness",
          "value": 98.00
        }
      ]
    }
  ]

}
  

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


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