Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07c2a748fa337ae7903ecbd96241acfe",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.960,
"b": 64.623,
"c": 74.859,
"alpha": 90.00,
"beta": 126.09,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.880,1.790],
"number_observations": 160649,
"number_observations_unique": 41988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 8938,
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(meas)",
"value": 0.620
},
{
"type": "R(pim)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [48.880,8.970],
"number_observations": 1294,
"number_observations_unique": 353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}