Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "64259490d5bb289128985af7958cc264",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 79.90,
"b": 109.20,
"c": 61.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.8,1.990],
"number_observations_unique": 18617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 25.530
},
{
"type": "Completeness",
"value": 99.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.990],
"number_observations": 1124,
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "I/SigI",
"value": 4.070
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.300,2.000],
"number_observations": 27870,
"number_observations_unique": 6171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 10.980
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.500,2.300],
"number_observations": 12153,
"number_observations_unique": 2658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 21.140
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations": 18583,
"number_observations_unique": 3945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 28.490
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 15082,
"number_observations_unique": 3194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 40.240
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 7802,
"number_observations_unique": 1663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 44.900
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 2634,
"number_observations_unique": 583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 47.610
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [19.773,10.000],
"number_observations": 577,
"number_observations_unique": 144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 48.380
},
{
"type": "Completeness",
"value": 81.400
}
]
}
]
}