Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d97745054d5bf2368f451a183e55cd67",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 79.54,
"b": 127.78,
"c": 192.28,
"alpha": 90.00,
"beta": 96.66,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.750,2.650],
"number_observations": 406155,
"number_observations_unique": 55237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.730,2.650],
"number_observations": 30682,
"number_observations_unique": 4503,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.418
},
{
"type": "R(meas)",
"value": 2.619
},
{
"type": "R(pim)",
"value": 0.999
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.390
}
]
},
{
"resolution_limits": [47.750,11.240],
"number_observations": 4953,
"number_observations_unique": 714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 37.600
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}