Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a28fcfeb8af48d82fa8bc1ac0294ac81",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.65,
"b": 43.36,
"c": 59.50,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.080,1.600],
"number_observations_unique": 14641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.620
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.600],
"number_observations": 2822,
"number_observations_unique": 1319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 2.140
}
]
},
{
"resolution_limits": [1.720,1.660],
"number_observations": 3763,
"number_observations_unique": 1404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.680
}
]
},
{
"resolution_limits": [1.800,1.720],
"number_observations": 3896,
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.680
}
]
},
{
"resolution_limits": [1.900,1.800],
"number_observations": 3863,
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.690
}
]
},
{
"resolution_limits": [2.020,1.900],
"number_observations": 3943,
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.690
}
]
},
{
"resolution_limits": [2.170,2.020],
"number_observations": 3947,
"number_observations_unique": 1478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.660
}
]
},
{
"resolution_limits": [2.390,2.170],
"number_observations": 3985,
"number_observations_unique": 1486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.670
}
]
},
{
"resolution_limits": [2.740,2.390],
"number_observations": 4038,
"number_observations_unique": 1504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.660
}
]
},
{
"resolution_limits": [3.450,2.740],
"number_observations": 4120,
"number_observations_unique": 1526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.660
}
]
},
{
"resolution_limits": [27.080,3.450],
"number_observations": 4210,
"number_observations_unique": 1570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.580
}
]
}
]
}