Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "899a3ee736d4d8cd55196f33be4b7881",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.026,
"b": 63.353,
"c": 61.088,
"alpha": 90.000,
"beta": 105.679,
"gamma": 90.000
},
"wavelengths": [1.03272],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.104,1.68],
"number_observations_unique": 34175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [43.10,9.02],
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.70,1.68],
"number_observations_unique": 1666,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.685
},
{
"type": "R(meas)",
"value": 2.006
},
{
"type": "R(pim)",
"value": 1.073
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
}
]
}