Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b249961837f9de28b1c2a718595058b1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.275,
"b": 73.136,
"c": 52.732,
"alpha": 90.00,
"beta": 109.34,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.721,1.310],
"number_observations": 225685,
"number_observations_unique": 75521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.540
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.988
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.310],
"number_observations": 35570,
"number_observations_unique": 11945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 2.420
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [1.480,1.390],
"number_observations": 32886,
"number_observations_unique": 11275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [1.600,1.480],
"number_observations": 32608,
"number_observations_unique": 10737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 5.360
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.750,1.600],
"number_observations": 28690,
"number_observations_unique": 9841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 7.760
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.960,1.750],
"number_observations": 27769,
"number_observations_unique": 9042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 12.920
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.260,1.960],
"number_observations": 23294,
"number_observations_unique": 7901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 19.910
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.770,2.260],
"number_observations": 20919,
"number_observations_unique": 6769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 25.650
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.910,2.770],
"number_observations": 15278,
"number_observations_unique": 5169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 34.510
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.721,3.910],
"number_observations": 8671,
"number_observations_unique": 2842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 41.790
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}