Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dde9065ce6731a4ca6de871fe935bf4c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.213,
"b": 72.871,
"c": 52.553,
"alpha": 90.0,
"beta": 109.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.689,1.240],
"number_observations": 298410,
"number_observations_unique": 88968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 20.260
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.354
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.240],
"number_observations": 42750,
"number_observations_unique": 13388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 5.290
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.410,1.310],
"number_observations": 46892,
"number_observations_unique": 13622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 7.380
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.520,1.410],
"number_observations": 42763,
"number_observations_unique": 12668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 10.320
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.660,1.520],
"number_observations": 39865,
"number_observations_unique": 11750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 14.510
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.860,1.660],
"number_observations": 35744,
"number_observations_unique": 10621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 20.820
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.150,1.860],
"number_observations": 31390,
"number_observations_unique": 9401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 31.430
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.630,2.150],
"number_observations": 27437,
"number_observations_unique": 7973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 39.980
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.710,2.630],
"number_observations": 20354,
"number_observations_unique": 6105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 49.240
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [49.689,3.710],
"number_observations": 11215,
"number_observations_unique": 3440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 56.520
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}