Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7198b83a265c18c46bb1eed492220cef",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 97.702,
"b": 81.615,
"c": 51.720,
"alpha": 90.00,
"beta": 114.81,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.29,1.82],
"number_observations_unique": 32849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 13.43
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.93,1.82],
"number_observations_unique": 4976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7959999999999999
},
{
"type": "R(meas)",
"value": 0.9079999999999999
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [2.06,1.93],
"number_observations_unique": 5051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.488
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.22,2.06],
"number_observations_unique": 4632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.44,2.22],
"number_observations_unique": 4342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "CC(1/2)",
"value": 0.9890000000000001
}
]
},
{
"resolution_limits": [2.72,2.44],
"number_observations_unique": 3914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.14400000000000002
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.14,2.72],
"number_observations_unique": 3439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.84,3.14],
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.42,3.84],
"number_observations_unique": 2280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.29,5.42],
"number_observations_unique": 1292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}