Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b521d5480fdccfc660433e295aac7e6",
"space_group_name": "P 1",
"unit_cell": {
"a": 28.195,
"b": 30.720,
"c": 36.081,
"alpha": 65.19,
"beta": 79.30,
"gamma": 89.56
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.08,1.64],
"number_observations": 43879,
"number_observations_unique": 12672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.67,1.64],
"number_observations": 1657,
"number_observations_unique": 532,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.007
},
{
"type": "R(meas)",
"value": 1.203
},
{
"type": "R(pim)",
"value": 0.648
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.456
}
]
}
]
}