Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c26570eb952941772d44528dfefe3f5d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.651,
"b": 105.943,
"c": 58.213,
"alpha": 90.00,
"beta": 108.89,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [105.940,1.550],
"number_observations": 293663,
"number_observations_unique": 78406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 21983,
"number_observations_unique": 5739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.797
},
{
"type": "R(meas)",
"value": 0.928
},
{
"type": "R(pim)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [105.940,6.930],
"number_observations": 3465,
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 45.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}