Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9ab1064e5e29d072a1a501dbebcc018",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.19,
"b": 70.45,
"c": 120.09,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.000,2.500],
"number_observations_unique": 12897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 94.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.570,2.500],
"number_observations_unique": 1077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "Completeness",
"value": 97.000
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.860,2.750],
"number_observations_unique": 1089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [2.990,2.860],
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [3.150,2.990],
"number_observations_unique": 1116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.350,3.150],
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.610,3.350],
"number_observations_unique": 1109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.970,3.610],
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 54.700
}
]
},
{
"resolution_limits": [4.540,3.970],
"number_observations_unique": 1126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [5.720,4.540],
"number_observations_unique": 1160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [55.000,5.720],
"number_observations_unique": 1234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 98.200
}
]
}
]
}