Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee6b1306e687baf9add6e2728ac3d3ab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.825,
"b": 45.653,
"c": 66.412,
"alpha": 90.00,
"beta": 100.18,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.040],
"number_observations_unique": 21488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.200,2.110],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.300,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.420,2.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.570,2.420],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.770,2.570],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.050,2.770],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.490,3.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.390,3.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [50.000,4.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}