Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5644a9f2bb02e0111179865fcfb3c0fe",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.922,
"b": 89.922,
"c": 106.569,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.876,1.720],
"number_observations": 508257,
"number_observations_unique": 101752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 14.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.720],
"number_observations": 69723,
"number_observations_unique": 16403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.855
},
{
"type": "R(meas)",
"value": 0.980
},
{
"type": "I/SigI",
"value": 1.260
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [1.950,1.830],
"number_observations": 75348,
"number_observations_unique": 15497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 2.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [2.110,1.950],
"number_observations": 77085,
"number_observations_unique": 14383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 5.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.310,2.110],
"number_observations": 67973,
"number_observations_unique": 13278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.580,2.310],
"number_observations": 63698,
"number_observations_unique": 12010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 14.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.980,2.580],
"number_observations": 54301,
"number_observations_unique": 10514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 23.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.650,2.980],
"number_observations": 46274,
"number_observations_unique": 8939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 36.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.150,3.650],
"number_observations": 34063,
"number_observations_unique": 6914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [62.876,5.150],
"number_observations": 19792,
"number_observations_unique": 3814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 50.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}