Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1fced22ca0d6bb0635959be579a8247f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.952,
"b": 52.630,
"c": 44.657,
"alpha": 90.00,
"beta": 102.98,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.590,1.410],
"number_observations": 146826,
"number_observations_unique": 45926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.410],
"number_observations": 4214,
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.154
},
{
"type": "R(meas)",
"value": 1.509
},
{
"type": "R(pim)",
"value": 0.957
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 78.900
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
},
{
"resolution_limits": [54.590,7.720],
"number_observations": 1136,
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}