Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a34b84035ccf60123a49a19ae1d72e8",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 64.431,
"b": 75.205,
"c": 104.080,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.9],
"number_observations_unique": 40453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.11900000000000001
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 13.84
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.90],
"number_observations_unique": 6475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5539999999999999
},
{
"type": "R(meas)",
"value": 0.58
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
{
"resolution_limits": [2.15,2.02],
"number_observations_unique": 6086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.39
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.33,2.15],
"number_observations_unique": 5650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.28300000000000003
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.55,2.33],
"number_observations_unique": 5239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.22399999999999998
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.85,2.55],
"number_observations_unique": 4763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.29,2.85],
"number_observations_unique": 4223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.02,3.29],
"number_observations_unique": 3607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.08199999999999999
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.67,4.02],
"number_observations_unique": 2837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.95,1.9],
"number_observations_unique": 1676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}