Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bec2de1d4c98011115790dcd64ee48ed",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.23,
"b": 73.11,
"c": 52.45,
"alpha": 90.00,
"beta": 109.31,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.69,1.19],
"number_observations": 340781,
"number_observations_unique": 101395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 8.97
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.26,1.19],
"number_observations": 51661,
"number_observations_unique": 16000,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.383
},
{
"type": "R(meas)",
"value": 1.663
},
{
"type": "I/SigI",
"value": 0.77
},
{
"type": "CC(1/2)",
"value": 0.299
}
]
},
{
"resolution_limits": [1.35,1.26],
"number_observations": 49748,
"number_observations_unique": 15192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.981
},
{
"type": "R(meas)",
"value": 1.173
},
{
"type": "I/SigI",
"value": 1.11
},
{
"type": "CC(1/2)",
"value": 0.474
}
]
},
{
"resolution_limits": [1.45,1.35],
"number_observations": 49727,
"number_observations_unique": 14524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "R(meas)",
"value": 0.703
},
{
"type": "I/SigI",
"value": 1.95
},
{
"type": "CC(1/2)",
"value": 0.717
}
]
},
{
"resolution_limits": [1.59,1.45],
"number_observations": 43579,
"number_observations_unique": 13166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 3.45
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [1.78,1.59],
"number_observations": 42156,
"number_observations_unique": 12044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.21
},
{
"type": "I/SigI",
"value": 6.42
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.06,1.78],
"number_observations": 36964,
"number_observations_unique": 10684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 13.16
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.52,2.06],
"number_observations": 29424,
"number_observations_unique": 8881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 21.34
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.55,2.52],
"number_observations": 24433,
"number_observations_unique": 7017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 32.78
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}