Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02c65d5e68a5213a83cf4098ec48a10c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.135,
"b": 53.675,
"c": 44.208,
"alpha": 90.00,
"beta": 100.86,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.410,2.030],
"number_observations": 64363,
"number_observations_unique": 17071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.030],
"number_observations": 9032,
"number_observations_unique": 2455,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.538
},
{
"type": "R(meas)",
"value": 1.804
},
{
"type": "R(pim)",
"value": 0.929
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.350
}
]
},
{
"resolution_limits": [48.410,6.420],
"number_observations": 2023,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}