Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8979ef8d6610cee9e288030688493bd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.250,
"b": 41.252,
"c": 71.733,
"alpha": 90.00,
"beta": 104.26,
"gamma": 90.00
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.286,1.800],
"number_observations_unique": 22183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 27.565
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 2.700
}
]
},
{
"resolution_limits": [1.940,1.860],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.030,1.940],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.130,2.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.270,2.130],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.440,2.270],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.690,2.440],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.080,2.690],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.880,3.080],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [25.286,3.880],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
}
]
}