Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3489a7b916572a7d3f04484ce08dfb30",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.298,
"b": 73.053,
"c": 52.676,
"alpha": 90.00,
"beta": 109.27,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.759,1.850],
"number_observations": 116624,
"number_observations_unique": 27507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 11.870
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.239
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.850],
"number_observations": 17864,
"number_observations_unique": 4251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "R(meas)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [2.090,1.960],
"number_observations": 17695,
"number_observations_unique": 4171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 5.230
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.260,2.090],
"number_observations": 16345,
"number_observations_unique": 3874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 7.170
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.470,2.260],
"number_observations": 15340,
"number_observations_unique": 3588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 8.220
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.760,2.470],
"number_observations": 13980,
"number_observations_unique": 3281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 10.790
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.190,2.760],
"number_observations": 12411,
"number_observations_unique": 2903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 15.470
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.900,3.190],
"number_observations": 10336,
"number_observations_unique": 2436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 23.810
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.500,3.900],
"number_observations": 8131,
"number_observations_unique": 1913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 31.520
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.759,5.500],
"number_observations": 4522,
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 31.620
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}