Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc8a1f910a99b122116e0e9ae934c887",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 117.767,
"b": 62.443,
"c": 121.396,
"alpha": 90.00,
"beta": 101.24,
"gamma": 90.00
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.750,2.400],
"number_observations": 169376,
"number_observations_unique": 34103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 16172,
"number_observations_unique": 3538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.629
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [57.750,8.970],
"number_observations": 3364,
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}