Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "555e26827891aeb7645758b0bd051fbd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.643,
"b": 49.308,
"c": 115.092,
"alpha": 90.00,
"beta": 95.14,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.660,2.110],
"number_observations": 180431,
"number_observations_unique": 52410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.110],
"number_observations": 14811,
"number_observations_unique": 4191,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.130
},
{
"type": "R(meas)",
"value": 1.334
},
{
"type": "R(pim)",
"value": 0.704
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.385
}
]
},
{
"resolution_limits": [114.660,8.950],
"number_observations": 2314,
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 50.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
}
]
}