Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abad6b66931134aba40b5e48e91c187b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.111,
"b": 62.126,
"c": 80.929,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.77000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.150,1.820],
"number_observations": 968126,
"number_observations_unique": 19553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 49.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.820],
"number_observations": 2878,
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "R(meas)",
"value": 0.682
},
{
"type": "R(pim)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 21.100
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [62.150,8.150],
"number_observations": 16275,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 52.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}