Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec4c5fb43e4ba613fbffd51d9ae1c977",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.39,
"b": 73.31,
"c": 52.65,
"alpha": 90.00,
"beta": 109.39,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.49,1.24],
"number_observations": 303263,
"number_observations_unique": 89774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.82
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.31,1.24],
"number_observations": 44020,
"number_observations_unique": 13943,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.04
},
{
"type": "R(meas)",
"value": 1.252
},
{
"type": "I/SigI",
"value": 1.00
},
{
"type": "CC(1/2)",
"value": 0.409
}
]
},
{
"resolution_limits": [1.4,1.31],
"number_observations": 47289,
"number_observations_unique": 13625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "I/SigI",
"value": 1.69
},
{
"type": "CC(1/2)",
"value": 0.635
}
]
},
{
"resolution_limits": [1.52,1.40],
"number_observations": 43821,
"number_observations_unique": 12780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 2.86
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [1.66,1.52],
"number_observations": 38431,
"number_observations_unique": 11668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 4.79
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.86,1.66],
"number_observations": 37924,
"number_observations_unique": 10725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 8.82
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.14,1.86],
"number_observations": 31959,
"number_observations_unique": 9429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 15.78
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.62,2.14],
"number_observations": 26505,
"number_observations_unique": 7924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 22.61
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.7,2.62],
"number_observations": 21520,
"number_observations_unique": 6199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 31.66
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}