Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f0dcef0b7c6289a0e3e95f72156be82",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 94.960,
"b": 63.723,
"c": 219.925,
"alpha": 90.00,
"beta": 99.75,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.000],
"number_observations_unique": 24297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 92.70
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.110,3.000],
"number_observations_unique": 2370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.637
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.230,3.110],
"number_observations_unique": 2412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.380,3.230],
"number_observations_unique": 2404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.560,3.380],
"number_observations_unique": 2424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.780,3.560],
"number_observations_unique": 2402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [4.070,3.780],
"number_observations_unique": 2386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [4.480,4.070],
"number_observations_unique": 2384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [5.130,4.480],
"number_observations_unique": 2393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [6.460,5.130],
"number_observations_unique": 2445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [50.000,6.460],
"number_observations_unique": 2677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
}
]
}