Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8cf164214bbefa6eb47981c396ba9787",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.174,
"b": 72.773,
"c": 52.528,
"alpha": 90.00,
"beta": 109.67,
"gamma": 90.00
},
"wavelengths": [0.89120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.538,1.630],
"number_observations": 165316,
"number_observations_unique": 39838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 20.080
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.149
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.630],
"number_observations": 25753,
"number_observations_unique": 6417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 4.350
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [1.850,1.730],
"number_observations": 25178,
"number_observations_unique": 5990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 6.990
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.000,1.850],
"number_observations": 23681,
"number_observations_unique": 5644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 11.160
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.190,2.000],
"number_observations": 21663,
"number_observations_unique": 5181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.440,2.190],
"number_observations": 19691,
"number_observations_unique": 4693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 21.850
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.820,2.440],
"number_observations": 17369,
"number_observations_unique": 4152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 27.830
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.450,2.820],
"number_observations": 14674,
"number_observations_unique": 3515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 38.980
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.860,3.450],
"number_observations": 11259,
"number_observations_unique": 2724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 52.370
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.538,4.860],
"number_observations": 6048,
"number_observations_unique": 1522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 50.350
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}