Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06c3890a1f54f5ad798ceb6c3cc44695",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.485,
"b": 52.653,
"c": 44.429,
"alpha": 90.00,
"beta": 102.74,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.830,1.730],
"number_observations": 93150,
"number_observations_unique": 26473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 4307,
"number_observations_unique": 1416,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.702
},
{
"type": "R(meas)",
"value": 2.056
},
{
"type": "R(pim)",
"value": 1.134
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
},
{
"resolution_limits": [54.830,8.980],
"number_observations": 804,
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}