Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a22503b650869126f9d5f9c23c7f4121",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 141.456,
"b": 67.050,
"c": 107.398,
"alpha": 90.00,
"beta": 97.05,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.24,2.810],
"number_observations_unique": 19864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.990,2.810],
"number_observations": 3688,
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.154
},
{
"type": "R(meas)",
"value": 1.348
},
{
"type": "R(pim)",
"value": 0.692
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 42.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.547
}
]
},
{
"resolution_limits": [62.237,8.086],
"number_observations": 3277,
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}