Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e30ba1985c830e9561ce84968a3febba",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.706,
"b": 52.645,
"c": 44.480,
"alpha": 90.00,
"beta": 102.87,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.010,1.720],
"number_observations": 95901,
"number_observations_unique": 26714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 4401,
"number_observations_unique": 1399,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.488
},
{
"type": "R(meas)",
"value": 1.793
},
{
"type": "R(pim)",
"value": 0.979
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.294
}
]
},
{
"resolution_limits": [55.010,8.950],
"number_observations": 795,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 36.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}