Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45e56d20dca4882699735fee87f92c6c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.514,
"b": 66.043,
"c": 72.424,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.74000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.59,1.740],
"number_observations_unique": 28510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 8184,
"number_observations_unique": 1559,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.153
},
{
"type": "R(meas)",
"value": 2.398
},
{
"type": "R(pim)",
"value": 1.042
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
},
{
"resolution_limits": [44.550,9.040],
"number_observations": 1114,
"number_observations_unique": 246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}