Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ac719889b5bab3b10d08041cef97f01",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.196,
"b": 72.689,
"c": 52.579,
"alpha": 90.00,
"beta": 109.49,
"gamma": 90.00
},
"wavelengths": [0.89120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.605,1.820],
"number_observations": 120060,
"number_observations_unique": 28747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 15.410
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.176
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.820],
"number_observations": 18968,
"number_observations_unique": 4568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 3.280
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [2.060,1.930],
"number_observations": 18128,
"number_observations_unique": 4344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 6.220
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.230,2.060],
"number_observations": 16979,
"number_observations_unique": 4048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 9.460
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.440,2.230],
"number_observations": 15852,
"number_observations_unique": 3773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 10.820
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.720,2.440],
"number_observations": 14345,
"number_observations_unique": 3399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 14.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.140,2.720],
"number_observations": 12637,
"number_observations_unique": 2996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 21.310
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.840,3.140],
"number_observations": 10667,
"number_observations_unique": 2555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 32.970
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.420,3.840],
"number_observations": 8105,
"number_observations_unique": 1967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 41.720
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.605,5.420],
"number_observations": 4379,
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 39.920
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}