Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8f73144b381e45bb55536bc06a440e04",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 91.662,
"b": 81.353,
"c": 141.695,
"alpha": 90.00,
"beta": 100.23,
"gamma": 90.00
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.610,2.670],
"number_observations": 306061,
"number_observations_unique": 58449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.670],
"number_observations": 23266,
"number_observations_unique": 4504,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.176
},
{
"type": "R(pim)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.529
}
]
},
{
"resolution_limits": [48.610,11.640],
"number_observations": 3788,
"number_observations_unique": 745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}