Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38632eddd068fb136f51af6946845d16",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.775,
"b": 95.775,
"c": 45.755,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.270,1.350],
"number_observations": 541923,
"number_observations_unique": 45681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 13238,
"number_observations_unique": 2309,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.711
},
{
"type": "R(meas)",
"value": 2.986
},
{
"type": "R(pim)",
"value": 1.236
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [31.270,7.270],
"number_observations": 3832,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 68.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}