Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c08498a6a66a0a7c98725ee75ec63717",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.399,
"b": 108.850,
"c": 117.720,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.400,1.650],
"number_observations": 765424,
"number_observations_unique": 116053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 26371,
"number_observations_unique": 5446,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.030
},
{
"type": "R(meas)",
"value": 1.148
},
{
"type": "R(pim)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.552
}
]
},
{
"resolution_limits": [49.400,9.040],
"number_observations": 4763,
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}