Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95d5c61b1a42a409289bc4b7013b9e84",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.330,
"b": 73.059,
"c": 52.826,
"alpha": 90.00,
"beta": 109.75,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.665,1.490],
"number_observations": 220065,
"number_observations_unique": 51961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 16.290
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.235
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.490],
"number_observations": 33206,
"number_observations_unique": 8044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 3.980
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [1.690,1.580],
"number_observations": 33509,
"number_observations_unique": 7853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 5.840
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.820,1.690],
"number_observations": 31275,
"number_observations_unique": 7335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 8.820
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.000,1.820],
"number_observations": 28816,
"number_observations_unique": 6762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 14.380
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.230,2.000],
"number_observations": 26162,
"number_observations_unique": 6139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 20.570
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.570,2.230],
"number_observations": 23471,
"number_observations_unique": 5504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 24.020
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.150,2.570],
"number_observations": 19826,
"number_observations_unique": 4657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 29.690
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.440,3.150],
"number_observations": 15371,
"number_observations_unique": 3625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 36.550
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.665,4.440],
"number_observations": 8429,
"number_observations_unique": 2042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}