Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48722b4d86502b31bc99954a4ea5f50e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.866,
"b": 66.212,
"c": 68.593,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97947],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.531,1.80],
"number_observations": 87402,
"number_observations_unique": 18276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 11.040
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.58
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.800],
"number_observations": 7957,
"number_observations_unique": 3161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "R(meas)",
"value": 0.821
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [1.940,1.860],
"number_observations": 9272,
"number_observations_unique": 3624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.030,1.940],
"number_observations": 8848,
"number_observations_unique": 3445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.130,2.030],
"number_observations": 8299,
"number_observations_unique": 3214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.270,2.130],
"number_observations": 9240,
"number_observations_unique": 3583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.440,2.270],
"number_observations": 8619,
"number_observations_unique": 3312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.690,2.440],
"number_observations": 8874,
"number_observations_unique": 3415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 11.4
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.070,2.690],
"number_observations": 8591,
"number_observations_unique": 3310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.870,3.070],
"number_observations": 8937,
"number_observations_unique": 3417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 25.0
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [26.531,3.870],
"number_observations": 8765,
"number_observations_unique": 3361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 31.3
},
{
"type": "Completeness",
"value": 97.400
}
]
}
]
}