Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8fd90cd6a555e4c1778b40da5f487983",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.735,
"b": 79.909,
"c": 55.337,
"alpha": 90.00,
"beta": 107.52,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.920],
"number_observations_unique": 28973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.920],
"number_observations_unique": 1547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "Completeness",
"value": 48.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.070,1.990],
"number_observations_unique": 2106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 65.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.160,2.070],
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.280,2.160],
"number_observations_unique": 3195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.420,2.280],
"number_observations_unique": 3243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.610,2.420],
"number_observations_unique": 3192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.870,2.610],
"number_observations_unique": 3233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.280,2.870],
"number_observations_unique": 3210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.140,3.280],
"number_observations_unique": 3233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [50.000,4.140],
"number_observations_unique": 3257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}