Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1fc7449a52e5ec8d49972940f06788c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 57.546,
"b": 57.546,
"c": 121.624,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95340],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.800,1.610],
"number_observations_unique": 27402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 27.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.610],
"number_observations": 23008,
"number_observations_unique": 1308,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.515
},
{
"type": "R(meas)",
"value": 1.559
},
{
"type": "R(pim)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 17.600
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [41.800,8.810],
"number_observations": 4619,
"number_observations_unique": 226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 66.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 20.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}