Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27eb496fc86b9c9ee6309dafa000bee4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.14,
"b": 133.95,
"c": 74.66,
"alpha": 90.00,
"beta": 93.04,
"gamma": 90.00
},
"wavelengths": [1.00000,0.98030],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.025,1.94],
"number_observations_unique": 60310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.450
},
{
"type": "Completeness",
"value": 81.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.01,1.94],
"number_observations": 11800,
"number_observations_unique": 7201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 57.00
}
]
},
{
"resolution_limits": [2.09,2.01],
"number_observations": 19617,
"number_observations_unique": 10064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 81.50
}
]
},
{
"resolution_limits": [2.18,2.09],
"number_observations": 19992,
"number_observations_unique": 9846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 82.20
}
]
},
{
"resolution_limits": [2.30,2.18],
"number_observations": 22535,
"number_observations_unique": 10810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 82.80
}
]
},
{
"resolution_limits": [2.44,2.30],
"number_observations": 21975,
"number_observations_unique": 10176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 83.50
}
]
},
{
"resolution_limits": [2.63,2.44],
"number_observations": 23637,
"number_observations_unique": 10638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 84.20
}
]
},
{
"resolution_limits": [2.90,2.63],
"number_observations": 23742,
"number_observations_unique": 10845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 84.60
}
]
},
{
"resolution_limits": [3.31,2.90],
"number_observations": 22591,
"number_observations_unique": 10476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 85.60
}
]
},
{
"resolution_limits": [4.17,3.31],
"number_observations": 23160,
"number_observations_unique": 10873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 86.40
}
]
},
{
"resolution_limits": [29.025,4.17],
"number_observations": 22884,
"number_observations_unique": 10983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 87.10
}
]
}
]
}