Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef1227d263f0eb114a12a250607ebeac",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.01,
"b": 27.15,
"c": 56.63,
"alpha": 90.00,
"beta": 100.46,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.820,1.190],
"number_observations": 104974,
"number_observations_unique": 37327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.190],
"number_observations": 4022,
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "R(pim)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 74.300
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [40.820,5.320],
"number_observations": 1437,
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 47.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}