Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ffb257622338cf5dad4df55d0681b4a4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.55,
"b": 149.32,
"c": 79.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.74,1.410],
"number_observations": 262237,
"number_observations_unique": 58865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.420
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.410],
"number_observations": 15959,
"number_observations_unique": 4915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 82.000
},
{
"type": "Redundancy",
"value": 3.230
}
]
},
{
"resolution_limits": [1.520,1.460],
"number_observations": 21567,
"number_observations_unique": 5945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.610
}
]
},
{
"resolution_limits": [1.590,1.520],
"number_observations": 22885,
"number_observations_unique": 6021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.790
}
]
},
{
"resolution_limits": [1.670,1.590],
"number_observations": 23920,
"number_observations_unique": 5961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.780,1.670],
"number_observations": 25973,
"number_observations_unique": 5966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.320
}
]
},
{
"resolution_limits": [1.910,1.780],
"number_observations": 28745,
"number_observations_unique": 5999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.740
}
]
},
{
"resolution_limits": [2.110,1.910],
"number_observations": 29830,
"number_observations_unique": 6051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.880
}
]
},
{
"resolution_limits": [2.410,2.110],
"number_observations": 30720,
"number_observations_unique": 6052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.050
}
]
},
{
"resolution_limits": [3.030,2.410],
"number_observations": 31160,
"number_observations_unique": 5969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 37.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.190
}
]
},
{
"resolution_limits": [19.770,3.030],
"number_observations": 31478,
"number_observations_unique": 5986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 63.700
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 5.180
}
]
}
]
}