Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c050a75b81554a671148b96bebe96a8",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.688,
"b": 88.688,
"c": 39.383,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.990,1.150],
"number_observations": 726077,
"number_observations_unique": 108551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.689
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.150],
"number_observations": 116458,
"number_observations_unique": 17372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.704
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.300,1.220],
"number_observations": 111322,
"number_observations_unique": 16459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 4.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.764
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.410,1.300],
"number_observations": 99064,
"number_observations_unique": 15319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 7.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.467
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.540,1.410],
"number_observations": 98867,
"number_observations_unique": 14061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.031
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.730,1.540],
"number_observations": 87287,
"number_observations_unique": 12796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 17.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.821
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.990,1.730],
"number_observations": 71472,
"number_observations_unique": 11268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 24.710
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.343
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.440,1.990],
"number_observations": 65556,
"number_observations_unique": 9580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 32.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.843
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.440,2.440],
"number_observations": 47731,
"number_observations_unique": 7474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 35.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.386
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [35.990,3.440],
"number_observations": 28320,
"number_observations_unique": 4222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 37.820
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.708
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}