Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d524b8d2ffa824f50dfd58006b8d5759",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 69.821,
"b": 92.113,
"c": 120.788,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91162,0.97927,0.97908],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.105,1.95],
"number_observations_unique": 28686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.450
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.65
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations": 10188,
"number_observations_unique": 5339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 97.20
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations": 10291,
"number_observations_unique": 5375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [2.20,2.10],
"number_observations": 11021,
"number_observations_unique": 5723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [2.31,2.20],
"number_observations": 9929,
"number_observations_unique": 5147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations": 10766,
"number_observations_unique": 5592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations": 10510,
"number_observations_unique": 5427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations": 10325,
"number_observations_unique": 5308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [3.33,2.91],
"number_observations": 10490,
"number_observations_unique": 5400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [4.19,3.33],
"number_observations": 10548,
"number_observations_unique": 5407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 98.30
}
]
},
{
"resolution_limits": [28.105,4.19],
"number_observations": 10569,
"number_observations_unique": 5418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 24.8
},
{
"type": "Completeness",
"value": 97.80
}
]
}
]
}