Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec4fc2cc4b269573d7046cf90c800db8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.165,
"b": 73.040,
"c": 52.737,
"alpha": 90.0,
"beta": 109.4,
"gamma": 90.0
},
"wavelengths": [0.89500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.599,1.120],
"number_observations": 495802,
"number_observations_unique": 122811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 14.310
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.037
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.120],
"number_observations": 62978,
"number_observations_unique": 18556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [1.270,1.190],
"number_observations": 76614,
"number_observations_unique": 18818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 4.290
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.370,1.270],
"number_observations": 72153,
"number_observations_unique": 17559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 6.050
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.500,1.370],
"number_observations": 67237,
"number_observations_unique": 16192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 9.830
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.680,1.500],
"number_observations": 61239,
"number_observations_unique": 14645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 15.370
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.930,1.680],
"number_observations": 54282,
"number_observations_unique": 12904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 22.990
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.370,1.930],
"number_observations": 46260,
"number_observations_unique": 10973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.340,2.370],
"number_observations": 35827,
"number_observations_unique": 8465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.599,3.340],
"number_observations": 19212,
"number_observations_unique": 4699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 39.120
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}