Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "312bad303ad2aebb8f094d24b7a472a5",
"space_group_name": "P 1",
"unit_cell": {
"a": 73.442,
"b": 114.660,
"c": 140.705,
"alpha": 88.95,
"beta": 88.12,
"gamma": 76.52
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.38,2.0],
"number_observations_unique": 293893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.85
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 3.60
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.00],
"number_observations_unique": 47226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9179999999999999
},
{
"type": "R(meas)",
"value": 1.075
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [2.26,2.12],
"number_observations_unique": 44676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5329999999999999
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [2.44,2.26],
"number_observations_unique": 41786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "CC(1/2)",
"value": 0.9209999999999999
}
]
},
{
"resolution_limits": [2.68,2.44],
"number_observations_unique": 38476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.20800000000000002
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.99,2.68],
"number_observations_unique": 34824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.45,2.99],
"number_observations_unique": 30220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08199999999999999
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.22,3.45],
"number_observations_unique": 25890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055999999999999994
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.95,4.22],
"number_observations_unique": 19850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.059000000000000004
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [49.38,5.95],
"number_observations_unique": 10945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}