Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02ab6f5405b53327e84c03fa377a790f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 159.75,
"b": 44.15,
"c": 95.73,
"alpha": 90.00,
"beta": 108.08,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.687,2.397],
"number_observations_unique": 25148,
"quality_factors": [
{
"type": "Completeness",
"value": 98.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.400],
"number_observations": 13936,
"number_observations_unique": 3859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 0.861
},
{
"type": "I/SigI",
"value": 1.910
},
{
"type": "Completeness",
"value": 95.300
}
]
},
{
"resolution_limits": [2.720,2.540],
"number_observations": 14466,
"number_observations_unique": 3811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 3.070
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.930,2.720],
"number_observations": 13303,
"number_observations_unique": 3559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 4.750
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.210,2.930],
"number_observations": 11673,
"number_observations_unique": 3270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 7.360
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.590,3.210],
"number_observations": 11608,
"number_observations_unique": 2970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 11.870
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.140,3.590],
"number_observations": 9901,
"number_observations_unique": 2637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 15.860
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [5.050,4.140],
"number_observations": 7832,
"number_observations_unique": 2224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 19.750
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [7.090,5.050],
"number_observations": 6627,
"number_observations_unique": 1769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 20.260
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [39.687,7.090],
"number_observations": 3533,
"number_observations_unique": 1049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 27.520
},
{
"type": "Completeness",
"value": 98.200
}
]
}
]
}