Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a2667fc7a8918b92135b8eed89ca4e4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 87.43,
"b": 93.01,
"c": 105.33,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.530],
"number_observations_unique": 127023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 26.2
},
{
"type": "Completeness",
"value": 97.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.530],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [1.730,1.620],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 6.710
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [1.870,1.730],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 10.990
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [2.050,1.870],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [2.290,2.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 31.070
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [2.650,2.290],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 40.520
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [3.240,2.650],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 52.090
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [4.560,3.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 76.090
},
{
"type": "Completeness",
"value": 96.300
}
]
},
{
"resolution_limits": [50.000,4.560],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 77.900
},
{
"type": "Completeness",
"value": 85.500
}
]
}
]
}