Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f31eaf47445ca5252330d968d23a6dd8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.329,
"b": 73.227,
"c": 53.031,
"alpha": 90.00,
"beta": 109.56,
"gamma": 90.00
},
"wavelengths": [0.91800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.712,1.470],
"number_observations": 192534,
"number_observations_unique": 53365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 16.010
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.470],
"number_observations": 19214,
"number_observations_unique": 6875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.692
},
{
"type": "I/SigI",
"value": 1.790
},
{
"type": "Completeness",
"value": 76.400
},
{
"type": "CC(1/2)",
"value": 0.658
}
]
},
{
"resolution_limits": [1.660,1.560],
"number_observations": 30077,
"number_observations_unique": 8281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [1.800,1.660],
"number_observations": 28889,
"number_observations_unique": 7821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 4.880
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.970,1.800],
"number_observations": 27533,
"number_observations_unique": 7266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 8.840
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.200,1.970],
"number_observations": 23998,
"number_observations_unique": 6489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 15.480
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.540,2.200],
"number_observations": 22194,
"number_observations_unique": 5780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 21.850
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.110,2.540],
"number_observations": 18383,
"number_observations_unique": 4898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 32.750
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.390,3.110],
"number_observations": 14243,
"number_observations_unique": 3816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 51.860
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.712,4.390],
"number_observations": 8003,
"number_observations_unique": 2139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 60.580
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}