Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ba3f46dfab70665f4ea3b15f9644bdb",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.691,
"b": 48.408,
"c": 68.668,
"alpha": 74.37,
"beta": 89.89,
"gamma": 83.17
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.090,2.000],
"number_observations": 118216,
"number_observations_unique": 34712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 7766,
"number_observations_unique": 2497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [66.090,8.940],
"number_observations": 1336,
"number_observations_unique": 396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}