Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e4168f8df6a2faf018ccaece1ddd328",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.124,
"b": 72.845,
"c": 52.282,
"alpha": 90.00,
"beta": 109.05,
"gamma": 90.00
},
"wavelengths": [0.89460],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.654,1.460],
"number_observations": 226801,
"number_observations_unique": 54435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 19.480
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.166
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.460],
"number_observations": 31636,
"number_observations_unique": 7810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [1.650,1.550],
"number_observations": 34749,
"number_observations_unique": 8399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [1.790,1.650],
"number_observations": 32723,
"number_observations_unique": 7851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 9.610
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.960,1.790],
"number_observations": 30219,
"number_observations_unique": 7236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 14.540
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.190,1.960],
"number_observations": 27478,
"number_observations_unique": 6538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 22.550
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.520,2.190],
"number_observations": 24329,
"number_observations_unique": 5767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 28.180
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.090,2.520],
"number_observations": 20815,
"number_observations_unique": 4901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 36.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.360,3.090],
"number_observations": 15974,
"number_observations_unique": 3797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 50.160
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.654,4.360],
"number_observations": 8878,
"number_observations_unique": 2136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 56.150
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}