Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af2f135b004f25cbff89fea0d8cca948",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 114.614,
"b": 114.614,
"c": 77.051,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840,0.97926,0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.386,1.57],
"number_observations_unique": 71815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 9.280
},
{
"type": "Completeness",
"value": 99.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.570],
"number_observations": 51478,
"number_observations_unique": 13878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.947
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 94.700
}
]
},
{
"resolution_limits": [1.690,1.630],
"number_observations": 47845,
"number_observations_unique": 12582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [1.770,1.690],
"number_observations": 54384,
"number_observations_unique": 14266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.562
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.860,1.770],
"number_observations": 50606,
"number_observations_unique": 13253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.980,1.860],
"number_observations": 54180,
"number_observations_unique": 14155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.130,1.980],
"number_observations": 51543,
"number_observations_unique": 13445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.340,2.130],
"number_observations": 51874,
"number_observations_unique": 13560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.680,2.340],
"number_observations": 52781,
"number_observations_unique": 13843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.380,2.680],
"number_observations": 51503,
"number_observations_unique": 13810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 18.6
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [29.386,3.380],
"number_observations": 50734,
"number_observations_unique": 13734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 23.9
},
{
"type": "Completeness",
"value": 99.300
}
]
}
]
}