Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58b8c6a6c82793d1b71c5c46590a6eb2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.001,
"b": 27.502,
"c": 56.336,
"alpha": 90.0,
"beta": 99.9,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.520,1.190],
"number_observations": 174002,
"number_observations_unique": 33694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 550,
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 22.000
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [55.520,6.520],
"number_observations": 1509,
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 69.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}