Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe992f792aa48962290c5278763774dd",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 160.95,
"b": 160.95,
"c": 103.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.570,2.670],
"number_observations": 911219,
"number_observations_unique": 43883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 17.170
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.765
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.840,2.670],
"number_observations": 140189,
"number_observations_unique": 6911,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.138
},
{
"type": "R(meas)",
"value": 1.167
},
{
"type": "I/SigI",
"value": 2.710
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 20.285
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [3.030,2.840],
"number_observations": 135675,
"number_observations_unique": 6624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "I/SigI",
"value": 4.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.482
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [3.270,3.030],
"number_observations": 129773,
"number_observations_unique": 6164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 7.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.053
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.580,3.270],
"number_observations": 123213,
"number_observations_unique": 5693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 12.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.643
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.000,3.580],
"number_observations": 108506,
"number_observations_unique": 5149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 20.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.073
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.620,4.000],
"number_observations": 91900,
"number_observations_unique": 4576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 29.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.083
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.640,4.620],
"number_observations": 83508,
"number_observations_unique": 3901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 34.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.407
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.930,5.640],
"number_observations": 62930,
"number_observations_unique": 3067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 33.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.518
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.570,7.930],
"number_observations": 35525,
"number_observations_unique": 1798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 62.620
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 19.758
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}