Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebeb100798c51d30e4b80451e3be796c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 91.341,
"b": 142.381,
"c": 98.278,
"alpha": 90.00,
"beta": 117.36,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.120,1.520],
"number_observations": 1731990,
"number_observations_unique": 338738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.520],
"number_observations": 209268,
"number_observations_unique": 49398,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.156
},
{
"type": "R(meas)",
"value": 1.325
},
{
"type": "R(pim)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.449
}
]
},
{
"resolution_limits": [81.120,4.820],
"number_observations": 57641,
"number_observations_unique": 10863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}