Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e263bb0bcac760f933aad63adf505737",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.27,
"b": 72.91,
"c": 52.54,
"alpha": 90.00,
"beta": 109.39,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.46,1.11],
"number_observations": 410098,
"number_observations_unique": 124113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.93
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.18,1.11],
"number_observations": 59438,
"number_observations_unique": 19476,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.641
},
{
"type": "R(meas)",
"value": 1.996
},
{
"type": "I/SigI",
"value": 0.60
},
{
"type": "CC(1/2)",
"value": 0.299
}
]
},
{
"resolution_limits": [1.26,1.18],
"number_observations": 61388,
"number_observations_unique": 18867,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.13
},
{
"type": "R(meas)",
"value": 1.358
},
{
"type": "I/SigI",
"value": 0.95
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
},
{
"resolution_limits": [1.36,1.26],
"number_observations": 57074,
"number_observations_unique": 17532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.788
},
{
"type": "R(meas)",
"value": 0.946
},
{
"type": "I/SigI",
"value": 1.39
},
{
"type": "CC(1/2)",
"value": 0.617
}
]
},
{
"resolution_limits": [1.49,1.36],
"number_observations": 55951,
"number_observations_unique": 16281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.53
},
{
"type": "I/SigI",
"value": 2.60
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [1.66,1.49],
"number_observations": 48554,
"number_observations_unique": 14641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.24
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 4.74
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [1.92,1.66],
"number_observations": 46089,
"number_observations_unique": 13058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 9.97
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.35,1.92],
"number_observations": 35693,
"number_observations_unique": 10859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 19.20
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.32,2.35],
"number_observations": 30034,
"number_observations_unique": 8654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 31.09
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}