Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70dc94316e1cc5a9e1a2850cdeceeedb",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 59.501,
"b": 59.501,
"c": 132.679,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.3],
"number_observations_unique": 11039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.08900000000000001
},
{
"type": "I/SigI",
"value": 15.37
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.44,2.30],
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.48700000000000004
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "CC(1/2)",
"value": 0.9159999999999999
}
]
},
{
"resolution_limits": [2.61,2.44],
"number_observations_unique": 1673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.35600000000000004
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.82,2.61],
"number_observations_unique": 1543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.22699999999999998
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.08,2.82],
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14400000000000002
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.44,3.08],
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.10099999999999999
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.97,3.44],
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07400000000000001
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.86,3.97],
"number_observations_unique": 983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055999999999999994
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.83,4.86],
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054000000000000006
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.0,6.83],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}