Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2eccf50505be3f67d23a1773cdfd1b94",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 173.59,
"b": 47.50,
"c": 119.25,
"alpha": 90.00,
"beta": 109.12,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.010,2.620],
"number_observations": 99682,
"number_observations_unique": 27833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.620],
"number_observations": 7447,
"number_observations_unique": 2005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.915
},
{
"type": "R(pim)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [82.010,11.720],
"number_observations": 1113,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 39.700
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}