Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6676c22ce18896d36253fff09d388d9",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 60.36,
"b": 60.36,
"c": 96.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.11600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.63],
"number_observations": 226096,
"number_observations_unique": 30214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 22.090
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.630],
"number_observations": 36773,
"number_observations_unique": 4174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 5.340
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.850,1.730],
"number_observations": 34510,
"number_observations_unique": 3888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 7.780
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.000,1.850],
"number_observations": 32968,
"number_observations_unique": 3714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 12.140
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.240,2.000],
"number_observations": 35811,
"number_observations_unique": 4042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 20.710
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.680,2.240],
"number_observations": 36187,
"number_observations_unique": 4166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 29.530
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.280,2.680],
"number_observations": 22673,
"number_observations_unique": 2710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.630,3.280],
"number_observations": 17667,
"number_observations_unique": 2126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 50.760
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [10.000,4.630],
"number_observations": 8745,
"number_observations_unique": 1102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 51.340
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [50.0,10.000],
"number_observations": 762,
"number_observations_unique": 129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 44.380
},
{
"type": "Completeness",
"value": 89.600
}
]
}
]
}