Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7726a35171d3c49b84443b1def9d1620",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 101.297,
"b": 24.524,
"c": 73.370,
"alpha": 90.00,
"beta": 89.35,
"gamma": 90.00
},
"wavelengths": [1.11600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.902,2.200],
"number_observations": 74634,
"number_observations_unique": 18775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.655
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations_unique": 1853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations_unique": 1869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 1831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.990,2.770],
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations_unique": 1863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.760,3.290],
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.740,3.760],
"number_observations_unique": 1920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [50.000,4.740],
"number_observations_unique": 2022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}