Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b5e3722222b41833cbc22e887e38e6b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 74.668,
"b": 123.632,
"c": 199.350,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.450,2.600],
"number_observations": 157947,
"number_observations_unique": 28839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 19677,
"number_observations_unique": 3472,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.472
},
{
"type": "R(pim)",
"value": 0.673
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [66.450,9.010],
"number_observations": 3407,
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
}
]
}