Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "961e75ad4e37b3feec2344a0fb88f819",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.619,
"b": 66.169,
"c": 70.951,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.68000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.170,1.680],
"number_observations": 176567,
"number_observations_unique": 29533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 4168,
"number_observations_unique": 1229,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.729
},
{
"type": "R(meas)",
"value": 2.026
},
{
"type": "R(pim)",
"value": 1.015
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.364
}
]
},
{
"resolution_limits": [66.170,9.050],
"number_observations": 1438,
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}