Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61a9cd0e2765b03e20803734470b7ee2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.79,
"b": 94.46,
"c": 107.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.550],
"number_observations": 93747,
"number_observations_unique": 25018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 16.380
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.75
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.550],
"number_observations": 10009,
"number_observations_unique": 2697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.750,2.650],
"number_observations": 8852,
"number_observations_unique": 2331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 4.120
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.950,2.750],
"number_observations": 14412,
"number_observations_unique": 3792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 6.090
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.630,2.950],
"number_observations": 28360,
"number_observations_unique": 7481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 13.450
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [3.970,3.630],
"number_observations": 7730,
"number_observations_unique": 2042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 24.770
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [4.310,3.970],
"number_observations": 5360,
"number_observations_unique": 1439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 29.240
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [4.650,4.310],
"number_observations": 3949,
"number_observations_unique": 1069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 31.250
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [14.000,4.650],
"number_observations": 14603,
"number_observations_unique": 4012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 33.720
},
{
"type": "Completeness",
"value": 94.800
}
]
},
{
"resolution_limits": [17.000,14.000],
"number_observations": 240,
"number_observations_unique": 73,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 46.720
},
{
"type": "Completeness",
"value": 90.100
}
]
},
{
"resolution_limits": [50.000,17.000],
"number_observations": 232,
"number_observations_unique": 82,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 43.380
},
{
"type": "Completeness",
"value": 71.900
}
]
},
{
"resolution_limits": [50,50.000],
"quality_factors": [
]
}
]
}