Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd69d5e29d26d29b0ea32bfe3df98093",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 58.19,
"b": 85.96,
"c": 46.35,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.190,1.500],
"number_observations": 163487,
"number_observations_unique": 35192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.500],
"number_observations": 5619,
"number_observations_unique": 3212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "R(pim)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 52.800
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [48.190,4.490],
"number_observations": 8028,
"number_observations_unique": 1546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
}
]
}