Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0e983babae3989101fbdaf87cfe8ff2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.783,
"b": 58.108,
"c": 61.797,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.650],
"number_observations_unique": 22603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.650],
"number_observations_unique": 2219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [1.780,1.710],
"number_observations_unique": 2223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [1.860,1.780],
"number_observations_unique": 2221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [1.960,1.860],
"number_observations_unique": 2229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [2.080,1.960],
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [2.240,2.080],
"number_observations_unique": 2260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [2.460,2.240],
"number_observations_unique": 2243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [2.820,2.460],
"number_observations_unique": 2286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [3.550,2.820],
"number_observations_unique": 2295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [50.000,3.550],
"number_observations_unique": 2386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
}
]
}