Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19259e1242e5b2d95b4c3495c36c5c96",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.161,
"b": 52.566,
"c": 44.585,
"alpha": 90.00,
"beta": 102.91,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.660,1.550],
"number_observations": 122420,
"number_observations_unique": 36629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 3977,
"number_observations_unique": 1714,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.219
},
{
"type": "R(meas)",
"value": 1.531
},
{
"type": "R(pim)",
"value": 0.910
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
},
{
"resolution_limits": [54.660,8.490],
"number_observations": 922,
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}