Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d574d7dae615390fcb79b80b922e334d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.668,
"b": 141.818,
"c": 94.580,
"alpha": 90.00,
"beta": 96.42,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.36,2.15],
"number_observations": 492483,
"number_observations_unique": 70493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.21,2.15],
"number_observations": 36696,
"number_observations_unique": 5147,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.292
},
{
"type": "R(meas)",
"value": 1.393
},
{
"type": "R(pim)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
}
]
}