Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3051c9d49efd60098443c824f091caf3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.91,
"b": 200.19,
"c": 70.68,
"alpha": 90.00,
"beta": 100.11,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,3.000],
"number_observations_unique": 30882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [3.160,3.000],
"number_observations": 15473,
"number_observations_unique": 4293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "R(meas)",
"value": 0.755
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [49.340,9.490],
"number_observations": 4094,
"number_observations_unique": 968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}