Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d6b4606c79d1d78465faf48b16a5423",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 109.342,
"b": 78.829,
"c": 138.786,
"alpha": 90.00,
"beta": 108.06,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.415,1.720],
"number_observations_unique": 446804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 15.550
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.676
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.720],
"number_observations": 184811,
"number_observations_unique": 31082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "R(meas)",
"value": 0.952
},
{
"type": "I/SigI",
"value": 1.640
},
{
"type": "Completeness",
"value": 81.400
},
{
"type": "Redundancy",
"value": 5.946
},
{
"type": "CC(1/2)",
"value": 0.714
}
]
},
{
"resolution_limits": [1.950,1.830],
"number_observations": 248058,
"number_observations_unique": 35577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.972
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [2.110,1.950],
"number_observations": 220580,
"number_observations_unique": 32898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.705
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.310,2.110],
"number_observations": 214660,
"number_observations_unique": 30574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 8.850
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.021
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.580,2.310],
"number_observations": 183629,
"number_observations_unique": 27427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 13.460
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.695
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.980,2.580],
"number_observations": 170134,
"number_observations_unique": 24475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 21.430
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.951
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.640,2.980],
"number_observations": 134719,
"number_observations_unique": 20650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 36.420
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.524
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.130,3.640],
"number_observations": 102750,
"number_observations_unique": 16026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 51.130
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.411
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.415,5.130],
"number_observations": 61894,
"number_observations_unique": 9170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 51.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.750
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}