Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e4e9be36643c46e0cf3f65840234860",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.55,
"b": 57.01,
"c": 59.89,
"alpha": 90.00,
"beta": 109.73,
"gamma": 90.00
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.520,1.980],
"number_observations": 75115,
"number_observations_unique": 22301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.980],
"number_observations": 4478,
"number_observations_unique": 1393,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.285
},
{
"type": "R(meas)",
"value": 1.536
},
{
"type": "R(pim)",
"value": 0.831
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.395
}
]
},
{
"resolution_limits": [48.520,8.880],
"number_observations": 855,
"number_observations_unique": 274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}