Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f02795b3f88f7352f1650943bcecb033",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 54.376,
"b": 232.512,
"c": 117.789,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.110],
"number_observations_unique": 43203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.110],
"number_observations": 18265,
"number_observations_unique": 3479,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.004
},
{
"type": "R(meas)",
"value": 2.221
},
{
"type": "R(pim)",
"value": 0.939
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
},
{
"resolution_limits": [48.290,8.950],
"number_observations": 3259,
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 46.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}