Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c70a94ed4381014e08bc757e4876bc4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.270,
"b": 73.030,
"c": 52.587,
"alpha": 90.00,
"beta": 109.38,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.704,1.270],
"number_observations": 310321,
"number_observations_unique": 84090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 12.790
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.69
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.270],
"number_observations": 46789,
"number_observations_unique": 12891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 5.420
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.440,1.340],
"number_observations": 46129,
"number_observations_unique": 12706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 7.060
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.550,1.440],
"number_observations": 45175,
"number_observations_unique": 11993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 9.420
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.700,1.550],
"number_observations": 40242,
"number_observations_unique": 10997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 11.770
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.900,1.700],
"number_observations": 38191,
"number_observations_unique": 10043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 15.170
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.190,1.900],
"number_observations": 32592,
"number_observations_unique": 8886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 18.530
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.680,2.190],
"number_observations": 29210,
"number_observations_unique": 7521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 20.870
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.790,2.680],
"number_observations": 20941,
"number_observations_unique": 5825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 21.910
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [42.704,3.790],
"number_observations": 11052,
"number_observations_unique": 3228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 22.320
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}