Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b782ab67ced4f134b9b42ab92312bcfd",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.423,
"b": 70.317,
"c": 85.425,
"alpha": 102.56,
"beta": 96.36,
"gamma": 112.39
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.440,2.230],
"number_observations": 193776,
"number_observations_unique": 57270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.230],
"number_observations": 14642,
"number_observations_unique": 4328,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.873
},
{
"type": "R(meas)",
"value": 2.230
},
{
"type": "R(pim)",
"value": 1.193
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.359
}
]
},
{
"resolution_limits": [62.440,9.740],
"number_observations": 2694,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}