Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48a7b22622598ad7c5ce0769b557da38",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 74.629,
"b": 95.509,
"c": 68.247,
"alpha": 90.00,
"beta": 98.26,
"gamma": 90.00
},
"wavelengths": [0.96000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.750,2.110],
"number_observations": 297531,
"number_observations_unique": 50403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.110],
"number_observations": 3499,
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.497
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 33.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [47.750,8.970],
"number_observations": 4145,
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}