Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66b45842271b832cd6746d90e6e7441a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 208.143,
"b": 113.061,
"c": 188.959,
"alpha": 90.00,
"beta": 91.54,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [188.891,2.354],
"number_observations": 714710,
"number_observations_unique": 102770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 88.4
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.634,2.354],
"number_observations": 35102,
"number_observations_unique": 5138,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.373
},
{
"type": "R(pim)",
"value": 0.568
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [188.891,7.809],
"number_observations": 36913,
"number_observations_unique": 5138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 26.6
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}