Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2a313c791c80b4f84860b96e294cdfd",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 203.684,
"b": 54.144,
"c": 73.197,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.23985],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.59],
"number_observations_unique": 108716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 19.9
},
{
"type": "Completeness",
"value": 91.5
},
{
"type": "Redundancy",
"value": 3.9
}
]
},
"refln_shells": [
{
"resolution_limits": [1.64,1.59],
"number_observations_unique": 2814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 78.8
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
{
"resolution_limits": [2.37,2.28],
"number_observations_unique": 3040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 74.5
},
{
"type": "Redundancy",
"value": 5.0
}
]
},
{
"resolution_limits": [2.48,2.37],
"number_observations_unique": 3229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 79.0
},
{
"type": "Redundancy",
"value": 5.2
}
]
},
{
"resolution_limits": [2.61,2.48],
"number_observations_unique": 3371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 82.0
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [2.77,2.61],
"number_observations_unique": 3589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 87.5
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.99,2.77],
"number_observations_unique": 3603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 87.1
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [3.29,2.99],
"number_observations_unique": 3623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 87.6
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
{
"resolution_limits": [3.76,3.29],
"number_observations_unique": 3571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Completeness",
"value": 85.7
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [4.74,3.76],
"number_observations_unique": 3406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 33.3
},
{
"type": "Completeness",
"value": 80.7
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [50.00,4.74],
"number_observations_unique": 3782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 36.3
},
{
"type": "Completeness",
"value": 85.0
},
{
"type": "Redundancy",
"value": 5.9
}
]
}
]
}