Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4d83ebb1d05647f57ad283849e93c1f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.17,
"b": 65.52,
"c": 57.90,
"alpha": 90.00,
"beta": 94.23,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.000],
"number_observations_unique": 22854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations_unique": 2279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations_unique": 2258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.370,2.250],
"number_observations_unique": 2282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations_unique": 2305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.710,2.520],
"number_observations_unique": 2267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.990,2.710],
"number_observations_unique": 2276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.420,2.990],
"number_observations_unique": 2299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.300,3.420],
"number_observations_unique": 2291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [20.000,4.300],
"number_observations_unique": 2323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 98.200
}
]
}
]
}