Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75665cac1b817a0ef5644c1a446580a8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 100.627,
"b": 136.597,
"c": 138.518,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.560],
"number_observations": 366757,
"number_observations_unique": 61202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 5474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.760,2.650],
"number_observations_unique": 5968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.880,2.760],
"number_observations_unique": 6146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [3.040,2.880],
"number_observations_unique": 6125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.230,3.040],
"number_observations_unique": 6135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.470,3.230],
"number_observations_unique": 6189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.820,3.470],
"number_observations_unique": 6172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [4.380,3.820],
"number_observations_unique": 6241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [5.510,4.380],
"number_observations_unique": 6277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [50.000,5.510],
"number_observations_unique": 6475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}