Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "88ba00125ea2d7435dc2b53a31851542",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.646,
"b": 53.228,
"c": 44.405,
"alpha": 90.00,
"beta": 102.99,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.970,1.820],
"number_observations": 88280,
"number_observations_unique": 23290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.820],
"number_observations": 13076,
"number_observations_unique": 3375,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.688
},
{
"type": "R(meas)",
"value": 1.952
},
{
"type": "R(pim)",
"value": 0.969
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.402
}
]
},
{
"resolution_limits": [47.970,5.750],
"number_observations": 2761,
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}