Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8174f7edc2343975a4a3c7c2ea59d7f1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.785,
"b": 118.668,
"c": 129.924,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.706,1.900],
"number_observations_unique": 60248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.028
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.90],
"number_observations": 39346,
"number_observations_unique": 8662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.12,2.00],
"number_observations": 37238,
"number_observations_unique": 8238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.27,2.12],
"number_observations": 34830,
"number_observations_unique": 7693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.45,2.27],
"number_observations": 32987,
"number_observations_unique": 7257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.50
}
]
},
{
"resolution_limits": [2.69,2.45],
"number_observations": 31430,
"number_observations_unique": 6682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [3.00,2.69],
"number_observations": 29802,
"number_observations_unique": 6071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.90
}
]
},
{
"resolution_limits": [3.47,3.00],
"number_observations": 27195,
"number_observations_unique": 5394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [4.25,3.47],
"number_observations": 23013,
"number_observations_unique": 4577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [6.01,4.25],
"number_observations": 18089,
"number_observations_unique": 3619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.7
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [87.706,6.01],
"number_observations": 9679,
"number_observations_unique": 2055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 4.70
}
]
}
]
}