Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3f293745fd839339fd9fdfd6229ca85",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.783,
"b": 102.069,
"c": 102.694,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.35502],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.570,2.790],
"number_observations": 108405,
"number_observations_unique": 16983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.790],
"number_observations": 17723,
"number_observations_unique": 2621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.971
},
{
"type": "R(meas)",
"value": 1.051
},
{
"type": "R(pim)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [56.570,8.810],
"number_observations": 3923,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}