Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2340b6a2dc7125f74078ac6b0beff87e",
"space_group_name": "P 1",
"unit_cell": {
"a": 49.260,
"b": 59.871,
"c": 79.887,
"alpha": 79.47,
"beta": 81.46,
"gamma": 75.59
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.480,1.670],
"number_observations": 166019,
"number_observations_unique": 95026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.670],
"number_observations": 21069,
"number_observations_unique": 13864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.885
},
{
"type": "R(meas)",
"value": 1.251
},
{
"type": "R(pim)",
"value": 0.885
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.432
}
]
},
{
"resolution_limits": [41.480,5.270],
"number_observations": 5447,
"number_observations_unique": 3020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 33.100
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}