Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c39dac64123a16cc1014d30050368c5b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.038,
"b": 92.380,
"c": 60.596,
"alpha": 90.00,
"beta": 97.56,
"gamma": 90.00
},
"wavelengths": [0.97944],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.6,2.200],
"number_observations_unique": 26450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 8.850
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.200],
"number_observations": 10184,
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 2.490
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [2.500,2.300],
"number_observations": 16082,
"number_observations_unique": 5117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.800,2.500],
"number_observations": 16290,
"number_observations_unique": 5190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 4.510
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.010,2.800],
"number_observations": 7899,
"number_observations_unique": 2511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.370,3.010],
"number_observations": 9359,
"number_observations_unique": 2972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 8.940
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.500,3.370],
"number_observations": 2354,
"number_observations_unique": 767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 11.720
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [3.880,3.500],
"number_observations": 5457,
"number_observations_unique": 1759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 13.730
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [4.250,3.880],
"number_observations": 3553,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 17.370
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [4.750,4.250],
"number_observations": 3295,
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 22.050
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [5.500,4.750],
"number_observations": 2919,
"number_observations_unique": 944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 21.980
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [6.680,5.500],
"number_observations": 2398,
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 20.210
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [19.7,6.680],
"number_observations": 2928,
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 33.120
},
{
"type": "Completeness",
"value": 94.600
}
]
}
]
}