Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff5ddb1423651736b70be9d9ab7355c8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 89.958,
"b": 132.606,
"c": 139.319,
"alpha": 90.00,
"beta": 98.07,
"gamma": 90.00
},
"wavelengths": [0.91770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.700],
"number_observations_unique": 88184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 18.0
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.700],
"number_observations_unique": 8725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.910,2.800],
"number_observations_unique": 8784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.040,2.910],
"number_observations_unique": 8713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.200,3.040],
"number_observations_unique": 8842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [3.400,3.200],
"number_observations_unique": 8803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.660,3.400],
"number_observations_unique": 8839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.030,3.660],
"number_observations_unique": 8839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 22.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.620,4.030],
"number_observations_unique": 8864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 28.4
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [5.810,4.620],
"number_observations_unique": 8908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 35.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [50.000,5.810],
"number_observations_unique": 8867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 29.1
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.300
}
]
}
]
}