Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07adc54dbbfd34b4ddf1a995fad358cc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 103.17,
"b": 113.22,
"c": 133.18,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35,3.420],
"number_observations_unique": 21271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
"refln_shells": [
{
"resolution_limits": [3.520,3.420],
"number_observations": 4916,
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 84.700
}
]
},
{
"resolution_limits": [3.620,3.520],
"number_observations": 5814,
"number_observations_unique": 1576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "I/SigI",
"value": 2.340
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.820,3.620],
"number_observations": 9929,
"number_observations_unique": 2689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.200,3.820],
"number_observations": 13888,
"number_observations_unique": 3772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 6.350
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.390,4.200],
"number_observations": 5290,
"number_observations_unique": 1445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 10.250
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [4.580,4.390],
"number_observations": 4424,
"number_observations_unique": 1204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 12.660
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.770,4.580],
"number_observations": 3753,
"number_observations_unique": 1026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 15.060
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [14.000,4.770],
"number_observations": 27984,
"number_observations_unique": 7754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 27.860
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [17.000,14.000],
"number_observations": 499,
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 61.270
},
{
"type": "Completeness",
"value": 95.000
}
]
},
{
"resolution_limits": [50.000,17.000],
"number_observations": 404,
"number_observations_unique": 160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.350
},
{
"type": "Completeness",
"value": 76.600
}
]
},
{
"resolution_limits": [35,50.000],
"quality_factors": [
]
}
]
}