Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a627e57e30974d130ca3c55868976065",
"space_group_name": "P 1",
"unit_cell": {
"a": 52.855,
"b": 54.961,
"c": 89.365,
"alpha": 87.83,
"beta": 84.06,
"gamma": 69.45
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.260,2.070],
"number_observations": 182543,
"number_observations_unique": 52741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.070],
"number_observations": 9110,
"number_observations_unique": 2708,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.297
},
{
"type": "R(meas)",
"value": 1.550
},
{
"type": "R(pim)",
"value": 0.834
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 60.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.398
}
]
},
{
"resolution_limits": [49.260,9.020],
"number_observations": 2216,
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}