Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ff885b28dfa280fa3a49d8fda6d982a",
"space_group_name": "P 1",
"unit_cell": {
"a": 37.538,
"b": 51.930,
"c": 105.869,
"alpha": 84.31,
"beta": 81.47,
"gamma": 78.95
},
"wavelengths": [1.07230],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.820,3.100],
"number_observations_unique": 13004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.100],
"number_observations_unique": 989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.711
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.659
}
]
},
{
"resolution_limits": [37.820,13.860],
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}