Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "796e15e20d92752a217e15c6b0413c60",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 93.996,
"b": 93.996,
"c": 33.075,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.94290],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.000,2.600],
"number_observations": 103184,
"number_observations_unique": 5355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 12942,
"number_observations_unique": 643,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.923
},
{
"type": "R(meas)",
"value": 1.973
},
{
"type": "R(pim)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [47.000,9.010],
"number_observations": 2360,
"number_observations_unique": 149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 74.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}