Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8adc55df679153800d8e8117f62e1f35",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 55.692,
"b": 58.708,
"c": 72.605,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.500],
"number_observations_unique": 19133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.55,1.50],
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 10.70
}
]
},
{
"resolution_limits": [1.62,1.55],
"number_observations_unique": 1882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 11.90
}
]
},
{
"resolution_limits": [1.69,1.62],
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 12.20
}
]
},
{
"resolution_limits": [1.78,1.69],
"number_observations_unique": 1910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 12.30
}
]
},
{
"resolution_limits": [1.89,1.78],
"number_observations_unique": 1929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 12.30
}
]
},
{
"resolution_limits": [2.04,1.89],
"number_observations_unique": 1832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 93.80
},
{
"type": "Redundancy",
"value": 11.20
}
]
},
{
"resolution_limits": [2.24,2.04],
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 12.00
}
]
},
{
"resolution_limits": [2.56,2.24],
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 95.10
},
{
"type": "Redundancy",
"value": 11.50
}
]
},
{
"resolution_limits": [3.23,2.56],
"number_observations_unique": 1982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.20
}
]
},
{
"resolution_limits": [50.00,3.23],
"number_observations_unique": 2045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 11.40
}
]
}
]
}