Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "545db1a9a977b335591a398a1f767cd4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.4,
"b": 131.2,
"c": 133.8,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54190],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.530,2.200],
"number_observations": 149992,
"number_observations_unique": 47509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.130
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations_unique": 4167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 84.900
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations_unique": 4295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations_unique": 4570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.260
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 4727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.610
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations_unique": 4797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.940
}
]
},
{
"resolution_limits": [2.990,2.770],
"number_observations_unique": 4905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.470
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations_unique": 4921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.990
}
]
},
{
"resolution_limits": [3.760,3.290],
"number_observations_unique": 4928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.020
}
]
},
{
"resolution_limits": [4.730,3.760],
"number_observations_unique": 5006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.980
}
]
},
{
"resolution_limits": [30.530,4.730],
"number_observations_unique": 5193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.870
}
]
}
]
}