Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2c8ab96f65962be807a9b847c52d9d1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.351,
"b": 92.268,
"c": 121.681,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95369],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [121.681,1.890],
"number_observations": 519744,
"number_observations_unique": 71647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.890],
"number_observations": 72989,
"number_observations_unique": 10327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.120,2.000],
"number_observations": 71963,
"number_observations_unique": 9764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.260,2.120],
"number_observations": 68201,
"number_observations_unique": 9247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.450,2.260],
"number_observations": 63200,
"number_observations_unique": 8575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.680,2.450],
"number_observations": 58258,
"number_observations_unique": 7926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.000,2.680],
"number_observations": 52947,
"number_observations_unique": 7213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.460,3.000],
"number_observations": 46551,
"number_observations_unique": 6409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [4.240,3.460],
"number_observations": 38909,
"number_observations_unique": 5429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [5.990,4.240],
"number_observations": 29771,
"number_observations_unique": 4271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [121.681,5.990],
"number_observations": 16955,
"number_observations_unique": 2486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
}
]
}