Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c83fb32dc4dd0b074b4f2657efd6403f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.58,
"b": 62.96,
"c": 109.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.580,1.770],
"number_observations": 355851,
"number_observations_unique": 39933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 18113,
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [58.580,9.040],
"number_observations": 2843,
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}