Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f20e81621622a2a259911aa9558ae57",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.018,
"b": 47.113,
"c": 46.456,
"alpha": 90.00,
"beta": 103.07,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.110,1.580],
"number_observations": 48027,
"number_observations_unique": 14608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 2122,
"number_observations_unique": 693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [47.110,8.660],
"number_observations": 330,
"number_observations_unique": 99,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 63.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}