Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b43e070389aed21ebcb9f1a7b5f972b3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 148.03,
"b": 35.80,
"c": 54.80,
"alpha": 90.00,
"beta": 100.19,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.940,3.200],
"number_observations": 31390,
"number_observations_unique": 4805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.290,3.200],
"number_observations": 2049,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.922
},
{
"type": "R(meas)",
"value": 1.010
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [53.940,14.320],
"number_observations": 381,
"number_observations_unique": 66,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}