Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d9003638ba745f7d122c49a86553b504",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 62.998,
"b": 109.175,
"c": 119.831,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.23986],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.090],
"number_observations": 443849,
"number_observations_unique": 49667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.090],
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.160,2.130],
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.210,2.160],
"number_observations_unique": 2465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.250,2.210],
"number_observations_unique": 2455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.300,2.250],
"number_observations_unique": 2488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.350,2.300],
"number_observations_unique": 2465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.410,2.350],
"number_observations_unique": 2460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.480,2.410],
"number_observations_unique": 2458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations_unique": 2513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.630,2.550],
"number_observations_unique": 2494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations_unique": 2458,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations_unique": 2495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations_unique": 2511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [3.120,2.970],
"number_observations_unique": 2506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [3.320,3.120],
"number_observations_unique": 2524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
{
"resolution_limits": [3.570,3.320],
"number_observations_unique": 2525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [3.930,3.570],
"number_observations_unique": 2538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [4.500,3.930],
"number_observations_unique": 2558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [5.670,4.500],
"number_observations_unique": 2585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [50.000,5.670],
"number_observations_unique": 2716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.200
}
]
}
]
}