Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "510f8206faf0f30ccee687a7ec693398",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 178.45,
"b": 104.83,
"c": 107.59,
"alpha": 90.00,
"beta": 99.44,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.5,1.73],
"number_observations_unique": 203188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 9.09
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 4.55
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.73],
"number_observations_unique": 31977,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.168
},
{
"type": "R(meas)",
"value": 2.448
},
{
"type": "CC(1/2)",
"value": 0.435
}
]
},
{
"resolution_limits": [1.96,1.83],
"number_observations_unique": 30979,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.296
},
{
"type": "R(meas)",
"value": 1.462
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [2.11,1.96],
"number_observations_unique": 28825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.708
},
{
"type": "R(meas)",
"value": 0.8
},
{
"type": "CC(1/2)",
"value": 0.8540000000000001
}
]
},
{
"resolution_limits": [2.32,2.11],
"number_observations_unique": 26474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.43799999999999994
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.59,2.32],
"number_observations_unique": 24070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.22399999999999998
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "CC(1/2)",
"value": 0.9740000000000001
}
]
},
{
"resolution_limits": [2.99,2.59],
"number_observations_unique": 21195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.14300000000000002
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.65,2.99],
"number_observations_unique": 17929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.15,3.65],
"number_observations_unique": 13930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037000000000000005
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [47.5,5.15],
"number_observations_unique": 7809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}