Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1788122923c7b358c8d04899ac604245",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.207,
"b": 52.596,
"c": 44.631,
"alpha": 90.00,
"beta": 102.99,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.690,1.270],
"number_observations": 160893,
"number_observations_unique": 57493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.270],
"number_observations": 1296,
"number_observations_unique": 1051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.708
},
{
"type": "R(meas)",
"value": 0.994
},
{
"type": "R(pim)",
"value": 0.696
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 31.900
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.392
}
]
},
{
"resolution_limits": [54.690,6.960],
"number_observations": 1495,
"number_observations_unique": 436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}