Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f246e38670cd7378c849a51caae9bfe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.433,
"b": 41.354,
"c": 72.038,
"alpha": 90.00,
"beta": 104.27,
"gamma": 90.00
},
"wavelengths": [1.19499],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.580,1.440],
"number_observations": 138481,
"number_observations_unique": 41703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.440],
"number_observations": 2144,
"number_observations_unique": 1047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 49.100
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [35.580,7.910],
"number_observations": 941,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 50.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}