Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06a8b3606f3c0b88e4e524a29dd58c49",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 30.067,
"b": 41.663,
"c": 110.479,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.480,1.680],
"number_observations": 77912,
"number_observations_unique": 16435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 3552,
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [110.480,9.030],
"number_observations": 499,
"number_observations_unique": 135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 60.300
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}