Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d922b4c471bea411c09a83e5ffa2a475",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.076,
"b": 70.270,
"c": 85.688,
"alpha": 102.70,
"beta": 96.47,
"gamma": 112.26
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.500,2.210],
"number_observations": 198240,
"number_observations_unique": 58910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.210],
"number_observations": 15030,
"number_observations_unique": 4502,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.404
},
{
"type": "R(meas)",
"value": 1.702
},
{
"type": "R(pim)",
"value": 0.944
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.383
}
]
},
{
"resolution_limits": [81.500,9.630],
"number_observations": 2690,
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}