Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d04fc4630b461c2505e51b1c950b1379",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.407,
"b": 67.187,
"c": 70.697,
"alpha": 90.00,
"beta": 100.05,
"gamma": 90.00
},
"wavelengths": [0.97917],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.118,2.00],
"number_observations": 197737,
"number_observations_unique": 26723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 10.590
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.787
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations": 13254,
"number_observations_unique": 4446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.869
},
{
"type": "R(meas)",
"value": 1.064
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 84.300
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations": 17955,
"number_observations_unique": 4977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.677
},
{
"type": "R(meas)",
"value": 0.796
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations": 21166,
"number_observations_unique": 5463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.591
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.370,2.250],
"number_observations": 20970,
"number_observations_unique": 5402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations": 20814,
"number_observations_unique": 5342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.710,2.520],
"number_observations": 20441,
"number_observations_unique": 5242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.990,2.710],
"number_observations": 21171,
"number_observations_unique": 5427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.420,2.990],
"number_observations": 20568,
"number_observations_unique": 5277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.300,3.420],
"number_observations": 20585,
"number_observations_unique": 5287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 26.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [27.118,4.300],
"number_observations": 20813,
"number_observations_unique": 5348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 32.2
},
{
"type": "Completeness",
"value": 99.400
}
]
}
]
}