Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ef2b2aa264e6fb1d528b1c11d396ffd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.996,
"b": 64.410,
"c": 74.433,
"alpha": 90.00,
"beta": 125.85,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.820,2.000],
"number_observations": 124202,
"number_observations_unique": 30133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.000],
"number_observations": 8420,
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.720
},
{
"type": "R(meas)",
"value": 0.830
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [47.820,8.970],
"number_observations": 1286,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}