Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25eb4299c26a292fe5193e73f51fc3cb",
"space_group_name": "P 1",
"unit_cell": {
"a": 32.286,
"b": 35.814,
"c": 74.875,
"alpha": 100.19,
"beta": 95.37,
"gamma": 89.86
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.680,1.500],
"number_observations": 169907,
"number_observations_unique": 44374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 4785,
"number_observations_unique": 1265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 48.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [36.680,8.220],
"number_observations": 1212,
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}