Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98d54dc3c213cc7abb5a29b12d5c520e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.192,
"b": 125.828,
"c": 180.167,
"alpha": 90.00,
"beta": 90.04,
"gamma": 90.00
},
"wavelengths": [1.12720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [125.830,2.200],
"number_observations": 512980,
"number_observations_unique": 99847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.200],
"number_observations": 145833,
"number_observations_unique": 28330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "R(pim)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [125.830,4.920],
"number_observations": 45351,
"number_observations_unique": 9030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}