Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94ee7338de76460138abff40bd7a871d",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 93.966,
"b": 93.966,
"c": 134.171,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97885],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.840],
"number_observations_unique": 8742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.840],
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.060,2.940],
"number_observations_unique": 839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.200,3.060],
"number_observations_unique": 863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.370,3.200],
"number_observations_unique": 861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.580,3.370],
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.850,3.580],
"number_observations_unique": 865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.240,3.850],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.860,4.240],
"number_observations_unique": 885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [6.120,4.860],
"number_observations_unique": 913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [50.000,6.120],
"number_observations_unique": 950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}