Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3af373ed5314e30dc0f10804bc513c89",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.446,
"b": 26.757,
"c": 55.808,
"alpha": 90.00,
"beta": 100.34,
"gamma": 90.00
},
"wavelengths": [0.91270],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.910,1.150],
"number_observations": 94019,
"number_observations_unique": 35016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 82.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 714,
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.098
},
{
"type": "R(meas)",
"value": 1.553
},
{
"type": "R(pim)",
"value": 1.098
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 28.800
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.213
}
]
},
{
"resolution_limits": [54.910,6.300],
"number_observations": 876,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}