Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94c7bf7f93f1fc197efbbe4e1eeb6c31",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 108.38,
"b": 108.38,
"c": 172.18,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.82658,0.97981,0.97993,0.97749],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.469,2.720],
"number_observations_unique": 28259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 25.670
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.720],
"number_observations": 24198,
"number_observations_unique": 2828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.653
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.920,2.820],
"number_observations": 20868,
"number_observations_unique": 2472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.120,2.920],
"number_observations": 36651,
"number_observations_unique": 4025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 7.540
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.740,3.120],
"number_observations": 66995,
"number_observations_unique": 7773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 17.850
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.050,3.740],
"number_observations": 20382,
"number_observations_unique": 2298,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 31.470
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.360,4.050],
"number_observations": 14533,
"number_observations_unique": 1697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 39.450
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.670,4.360],
"number_observations": 10136,
"number_observations_unique": 1294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 46.480
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [14.000,4.670],
"number_observations": 45737,
"number_observations_unique": 5610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 56.070
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [17.000,14.000],
"number_observations": 800,
"number_observations_unique": 112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 87.600
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50.000,17.000],
"number_observations": 808,
"number_observations_unique": 150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 69.930
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [48.469,50.000],
"quality_factors": [
]
}
]
}