Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4837132b9e9ac95b2835aa9a763e62da",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.102,
"b": 58.290,
"c": 58.466,
"alpha": 64.06,
"beta": 71.06,
"gamma": 72.61
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.720,1.900],
"number_observations": 140799,
"number_observations_unique": 40412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 9580,
"number_observations_unique": 2624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.575
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [44.720,9.110],
"number_observations": 1254,
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.100
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}