Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc14c80cd8c851f00dca42d4ee8e0380",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 85.671,
"b": 85.671,
"c": 76.662,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.840,1.580],
"number_observations_unique": 44372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 21.99
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 19.787
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.580],
"number_observations_unique": 13641,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.713
},
{
"type": "R(meas)",
"value": 1
},
{
"type": "I/SigI",
"value": 1.230
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.460
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [1.800,1.680],
"number_observations_unique": 12971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.866
},
{
"type": "R(meas)",
"value": 0.911
},
{
"type": "I/SigI",
"value": 2.480
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.439
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [1.940,1.800],
"number_observations_unique": 12081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 4.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.067
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.120,1.940],
"number_observations_unique": 11095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 9.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.915
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.380,2.120],
"number_observations_unique": 10114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 16.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.644
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.740,2.380],
"number_observations_unique": 8836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 20
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.824
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.350,2.740],
"number_observations_unique": 7486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 20
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.640
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.730,3.350],
"number_observations_unique": 5821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 20
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.841
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10,4.730],
"number_observations_unique": 3177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 20
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.449
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}