Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fd4b7c6928ee8e60adde5b864349ffa",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 75.38,
"b": 99.31,
"c": 102.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.71090],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.655,2.300],
"number_observations_unique": 17348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 28.710
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.136
},
{
"type": "I/SigI",
"value": 3.070
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.600,2.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 6.870
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.900,2.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 14.770
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.300,2.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 29.040
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.300,3.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 50.110
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.300,4.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 61.220
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.300,6.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 69.270
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [49.655,9.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 71.120
},
{
"type": "Completeness",
"value": 99.000
}
]
}
]
}