Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a657f4c7f7d6f68c40c34637aab65ff",
"space_group_name": "P 1",
"unit_cell": {
"a": 53.581,
"b": 53.581,
"c": 98.884,
"alpha": 91.47,
"beta": 91.47,
"gamma": 94.79
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.520,2.700],
"number_observations": 78501,
"number_observations_unique": 29308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 9784,
"number_observations_unique": 3846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3113
},
{
"type": "R(meas)",
"value": 3.880
},
{
"type": "R(pim)",
"value": 2.276
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.193
}
]
},
{
"resolution_limits": [47.520,8.950],
"number_observations": 1961,
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 37.300
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}