Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fbe5bc7309cf2e2ff10cc34a286dfe2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 189.605,
"b": 47.164,
"c": 70.681,
"alpha": 90.00,
"beta": 100.84,
"gamma": 90.00
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.720,3.198],
"number_observations": 37170,
"number_observations_unique": 9572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.254,3.198],
"number_observations": 1863,
"number_observations_unique": 479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [45.720,9.142],
"number_observations": 1673,
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}