Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e907e75cdfc9cb154681d0c18fa30ef",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.151,
"b": 70.168,
"c": 85.300,
"alpha": 102.36,
"beta": 96.32,
"gamma": 112.51
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.370,1.840],
"number_observations": 336141,
"number_observations_unique": 101168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.840],
"number_observations": 13562,
"number_observations_unique": 4880,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.568
},
{
"type": "R(meas)",
"value": 1.966
},
{
"type": "R(pim)",
"value": 1.158
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.322
}
]
},
{
"resolution_limits": [81.370,10.070],
"number_observations": 2448,
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}