Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "67d089cb0c4ffbd6698871442e9ea9b0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 171.518,
"b": 63.389,
"c": 142.135,
"alpha": 90.00,
"beta": 117.69,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [125.850,2.700],
"number_observations": 112747,
"number_observations_unique": 36652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.700],
"number_observations_unique": 4467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.728
},
{
"type": "R(meas)",
"value": 0.888
},
{
"type": "R(pim)",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.616
}
]
},
{
"resolution_limits": [125.850,9.350],
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}