Data quality metrics extracted from 3lza.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": "6d6d897a824264084c9ed90a54c587f7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.843,
    "b": 56.510,
    "c": 57.537,
    "alpha": 90.13,
    "beta": 103.27,
    "gamma": 102.85
  },
  "wavelengths": [0.91837,0.97951],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.599,1.70],
    "number_observations_unique": 57152,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.108
      },
      {
        "type": "I/SigI",
        "value": 5.340
      },
      {
        "type": "Completeness",
        "value": 84.800
      },
      {
        "type": "Redundancy",
        "value": 1.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.69],
      "number_observations": 8139,
      "number_observations_unique": 7208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.773
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 59.10
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.75],
      "number_observations": 11519,
      "number_observations_unique": 10246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.596
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 83.80
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.82],
      "number_observations": 11235,
      "number_observations_unique": 10030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.457
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 84.50
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.90],
      "number_observations": 11667,
      "number_observations_unique": 10477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 85.30
        }
      ]
    },
    {
      "resolution_limits": [2.13,2.00],
      "number_observations": 12185,
      "number_observations_unique": 11003,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 86.40
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.13],
      "number_observations": 11522,
      "number_observations_unique": 10488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 87.30
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.29],
      "number_observations": 11814,
      "number_observations_unique": 10816,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 6.1
        },
        {
          "type": "Completeness",
          "value": 88.10
        }
      ]
    },
    {
      "resolution_limits": [2.89,2.52],
      "number_observations": 12036,
      "number_observations_unique": 11149,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 7.2
        },
        {
          "type": "Completeness",
          "value": 89.40
        }
      ]
    },
    {
      "resolution_limits": [3.63,2.89],
      "number_observations": 11733,
      "number_observations_unique": 11021,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 9.1
        },
        {
          "type": "Completeness",
          "value": 90.90
        }
      ]
    },
    {
      "resolution_limits": [29.599,3.63],
      "number_observations": 12017,
      "number_observations_unique": 11548,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 11.0
        },
        {
          "type": "Completeness",
          "value": 93.20
        }
      ]
    }
  ]

}
  

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


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