Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1bbfed98285ed08b6dc200ce20676c84",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 89.83,
"b": 72.24,
"c": 103.07,
"alpha": 90.00,
"beta": 97.62,
"gamma": 90.00
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.526,1.35],
"number_observations_unique": 286012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 7.45
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.39,1.35],
"number_observations_unique": 21184,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.934
},
{
"type": "R(meas)",
"value": 2.094
},
{
"type": "CC(1/2)",
"value": 0.31
}
]
},
{
"resolution_limits": [1.42,1.39],
"number_observations_unique": 20526,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.631
},
{
"type": "R(meas)",
"value": 1.773
},
{
"type": "CC(1/2)",
"value": 0.388
}
]
},
{
"resolution_limits": [1.46,1.42],
"number_observations_unique": 19995,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.406
},
{
"type": "R(meas)",
"value": 1.533
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [1.51,1.46],
"number_observations_unique": 19352,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.221
},
{
"type": "R(meas)",
"value": 1.319
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [1.56,1.51],
"number_observations_unique": 18851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.958
},
{
"type": "R(meas)",
"value": 1.038
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [1.61,1.56],
"number_observations_unique": 18207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "R(meas)",
"value": 0.802
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [1.67,1.61],
"number_observations_unique": 17587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.642
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.74,1.67],
"number_observations_unique": 16890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.497
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [1.82,1.74],
"number_observations_unique": 16249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.91,1.82],
"number_observations_unique": 15576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.01,1.91],
"number_observations_unique": 14705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.13,2.01],
"number_observations_unique": 14023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.28,2.13],
"number_observations_unique": 13120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [2.46,2.28],
"number_observations_unique": 12237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.7,2.46],
"number_observations_unique": 11305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.02,2.70],
"number_observations_unique": 10207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.09
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.49,3.02],
"number_observations_unique": 9047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.27,3.49],
"number_observations_unique": 7686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.04,4.27],
"number_observations_unique": 5954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [47.526,6.04],
"number_observations_unique": 3311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}