Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e77485b2e2dcfc150b3d9831d674141",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 125.704,
"b": 108.379,
"c": 75.796,
"alpha": 90.0,
"beta": 109.1,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.410,1.930],
"number_observations": 246525,
"number_observations_unique": 71949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.930],
"number_observations": 36559,
"number_observations_unique": 10492,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.334
},
{
"type": "R(meas)",
"value": 1.579
},
{
"type": "R(pim)",
"value": 0.839
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [60.410,6.100],
"number_observations": 7805,
"number_observations_unique": 2341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}