Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1aba42e8252ebe0dfee77ee1d8ffa430",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.011,
"b": 65.667,
"c": 84.382,
"alpha": 90.00,
"beta": 93.59,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.920,1.970],
"number_observations": 175560,
"number_observations_unique": 53354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 11938,
"number_observations_unique": 3901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.946
},
{
"type": "R(meas)",
"value": 1.150
},
{
"type": "R(pim)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.442
}
]
},
{
"resolution_limits": [68.920,8.810],
"number_observations": 2139,
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}