Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7c311c31be85d619506d309c38714439",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.715,
"b": 48.178,
"c": 70.669,
"alpha": 90.00,
"beta": 90.89,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.820,1.520],
"number_observations": 311311,
"number_observations_unique": 46398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations_unique": 2233,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.472
},
{
"type": "R(meas)",
"value": 2.754
},
{
"type": "R(pim)",
"value": 1.194
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.263
}
]
},
{
"resolution_limits": [39.820,8.330],
"number_observations_unique": 307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
}
]
}