Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73d1b9d0100bc53088b391e4ec5660ca",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.839,
"b": 96.948,
"c": 58.059,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.030,1.700],
"number_observations": 171152,
"number_observations_unique": 26050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 7221,
"number_observations_unique": 1232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.956
},
{
"type": "R(meas)",
"value": 1.047
},
{
"type": "R(pim)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 89.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
},
{
"resolution_limits": [29.030,8.980],
"number_observations": 1273,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}