Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43b9af3255d2c8295d11c68cb083fd6a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.883,
"b": 65.860,
"c": 72.646,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [200,1.59],
"number_observations_unique": 70317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 13.77
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 4.82
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.69,1.59],
"number_observations_unique": 11348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9390000000000001
},
{
"type": "R(meas)",
"value": 1.056
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [1.81,1.69],
"number_observations_unique": 10678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.544
},
{
"type": "R(meas)",
"value": 0.615
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [1.95,1.81],
"number_observations_unique": 9985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.34299999999999997
},
{
"type": "CC(1/2)",
"value": 0.9690000000000001
}
]
},
{
"resolution_limits": [2.14,1.95],
"number_observations_unique": 9143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [2.39,2.14],
"number_observations_unique": 8287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.09300000000000001
},
{
"type": "CC(1/2)",
"value": 0.9940000000000001
}
]
},
{
"resolution_limits": [2.76,2.39],
"number_observations_unique": 7307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.38,2.76],
"number_observations_unique": 6163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055999999999999994
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.77,3.38],
"number_observations_unique": 4772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044000000000000004
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [200,4.77],
"number_observations_unique": 2634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040999999999999995
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}