Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "971495fe9a0b1f0f72a8040385d7d667",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 88.958,
"b": 88.958,
"c": 183.411,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.890,3.200],
"number_observations": 24832,
"number_observations_unique": 11535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.200],
"number_observations": 4130,
"number_observations_unique": 2021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 79.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [47.890,9.050],
"number_observations": 1122,
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 70.100
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}