Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8032bafc0b44c06138aebb197b28698b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.398,
"b": 52.720,
"c": 44.400,
"alpha": 90.00,
"beta": 102.89,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.840,1.730],
"number_observations": 93440,
"number_observations_unique": 26494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 4504,
"number_observations_unique": 1468,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.425
},
{
"type": "R(meas)",
"value": 1.730
},
{
"type": "R(pim)",
"value": 0.965
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.315
}
]
},
{
"resolution_limits": [54.840,8.820],
"number_observations": 825,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}