Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e85b195bf605e5473f3c966f36060a0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.947,
"b": 63.251,
"c": 69.915,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.250,1.910],
"number_observations": 103864,
"number_observations_unique": 18146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.910],
"number_observations": 4920,
"number_observations_unique": 1317,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.145
},
{
"type": "R(meas)",
"value": 1.353
},
{
"type": "R(pim)",
"value": 0.701
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.355
}
]
},
{
"resolution_limits": [63.250,8.540],
"number_observations": 1381,
"number_observations_unique": 250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}