Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8fd93fc821125867901c13feae87365f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 79.343,
"b": 178.062,
"c": 133.117,
"alpha": 90.00,
"beta": 104.45,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.890],
"number_observations": 289757,
"number_observations_unique": 79810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
"refln_shells": [
{
"resolution_limits": [3.060,2.890],
"number_observations": 44676,
"number_observations_unique": 12688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.573
},
{
"type": "R(meas)",
"value": 0.676
},
{
"type": "I/SigI",
"value": 2.110
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [3.270,3.060],
"number_observations": 45881,
"number_observations_unique": 12095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "I/SigI",
"value": 3.330
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.530,3.270],
"number_observations": 41163,
"number_observations_unique": 11276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.870,3.530],
"number_observations": 36913,
"number_observations_unique": 10338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 8.850
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.320,3.870],
"number_observations": 35238,
"number_observations_unique": 9426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 14.630
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.980,4.320],
"number_observations": 29395,
"number_observations_unique": 8326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 20.990
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [6.080,4.980],
"number_observations": 26646,
"number_observations_unique": 7068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 24.020
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [8.540,6.080],
"number_observations": 19241,
"number_observations_unique": 5467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [50.0,8.540],
"number_observations": 10604,
"number_observations_unique": 3126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 52.720
},
{
"type": "Completeness",
"value": 98.100
}
]
}
]
}