Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d32a554bcbb31a8889e0327c7d66912a",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 48.185,
"b": 48.185,
"c": 77.919,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,1.900],
"number_observations_unique": 7516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [2.690,2.580],
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [2.840,2.690],
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [3.010,2.840],
"number_observations_unique": 370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [3.250,3.010],
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
{
"resolution_limits": [3.570,3.250],
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 8.700
}
]
},
{
"resolution_limits": [4.080,3.570],
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [5.130,4.080],
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [20.000,5.130],
"number_observations_unique": 453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.300
}
]
}
]
}