Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c43b4c3bce1b85afee14adeff0972c8c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 268.430,
"b": 60.633,
"c": 145.391,
"alpha": 90.00,
"beta": 116.42,
"gamma": 90.00
},
"wavelengths": [0.91979],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.880,2.720],
"number_observations_unique": 56030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.720],
"number_observations": 12596,
"number_observations_unique": 3959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.958
},
{
"type": "R(meas)",
"value": 1.152
},
{
"type": "R(pim)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [29.880,12.160],
"number_observations": 2181,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.700
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}