Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d388d60f0035f9802e70936e03f248a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.53,
"b": 49.88,
"c": 33.95,
"alpha": 90.00,
"beta": 93.31,
"gamma": 90.00
},
"wavelengths": [0.97916],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.880,1.770],
"number_observations": 73821,
"number_observations_unique": 22225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.770],
"number_observations": 5098,
"number_observations_unique": 1567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.580
},
{
"type": "R(meas)",
"value": 0.693
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [46.880,7.920],
"number_observations": 740,
"number_observations_unique": 263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}