Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e421890202c251c6f053845a5cf92669",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.680,
"b": 88.680,
"c": 39.519,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77486],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,0.970],
"number_observations": 1182936,
"number_observations_unique": 181443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 52696,
"number_observations_unique": 8898,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.137
},
{
"type": "R(meas)",
"value": 3.440
},
{
"type": "R(pim)",
"value": 1.397
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.304
}
]
},
{
"resolution_limits": [44.340,5.310],
"number_observations": 8258,
"number_observations_unique": 1199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 48.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}