Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1189440d539ca1ed19938eafb7673586",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.188,
"b": 93.541,
"c": 104.650,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.780],
"number_observations_unique": 43267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 26.142
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.84,1.78],
"number_observations_unique": 4268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.40
}
]
},
{
"resolution_limits": [1.92,1.84],
"number_observations_unique": 4310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.00,1.92],
"number_observations_unique": 4280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [2.11,2.00],
"number_observations_unique": 4303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [2.24,2.11],
"number_observations_unique": 4326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [2.42,2.24],
"number_observations_unique": 4329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [2.66,2.42],
"number_observations_unique": 4352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [3.04,2.66],
"number_observations_unique": 4358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [3.83,3.04],
"number_observations_unique": 4418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [50.00,3.83],
"number_observations_unique": 4323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 93.20
},
{
"type": "Redundancy",
"value": 5.00
}
]
}
]
}