Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a420306f505f4ce3e3f0f587d614e5b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.524,
"b": 69.212,
"c": 67.195,
"alpha": 90.00,
"beta": 96.61,
"gamma": 90.00
},
"wavelengths": [0.93100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.450],
"number_observations_unique": 69956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations_unique": 3472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.537
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.500,1.470],
"number_observations_unique": 3542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.556
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 3473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.560,1.530],
"number_observations_unique": 3474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [1.600,1.560],
"number_observations_unique": 3484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 3496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.670,1.630],
"number_observations_unique": 3499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.720,1.670],
"number_observations_unique": 3488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.770,1.720],
"number_observations_unique": 3490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.830,1.770],
"number_observations_unique": 3477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 3499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.970,1.890],
"number_observations_unique": 3471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.060,1.970],
"number_observations_unique": 3499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.170,2.060],
"number_observations_unique": 3499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.300,2.170],
"number_observations_unique": 3478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.480,2.300],
"number_observations_unique": 3531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.730,2.480],
"number_observations_unique": 3516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.120,2.730],
"number_observations_unique": 3534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.930,3.120],
"number_observations_unique": 3456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [25.000,3.930],
"number_observations_unique": 3578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.200
}
]
}
]
}