Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee2435e0270dc33a66854f9ca86e49d6",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 80.769,
"b": 80.769,
"c": 140.797,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.160,1.500],
"number_observations": 853799,
"number_observations_unique": 44064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 58566,
"number_observations_unique": 3079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.810
},
{
"type": "R(meas)",
"value": 0.832
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [28.160,6.710],
"number_observations": 10483,
"number_observations_unique": 601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 81.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 17.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}