Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "783ce5ef62fade25c7d8a62e58604deb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.25,
"b": 73.09,
"c": 52.69,
"alpha": 90.00,
"beta": 109.41,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.54,1.33],
"number_observations": 248474,
"number_observations_unique": 73051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 8.20
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.41,1.33],
"number_observations": 39650,
"number_observations_unique": 11662,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.402
},
{
"type": "R(meas)",
"value": 1.669
},
{
"type": "I/SigI",
"value": 0.78
},
{
"type": "CC(1/2)",
"value": 0.373
}
]
},
{
"resolution_limits": [1.5,1.41],
"number_observations": 37947,
"number_observations_unique": 11111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "R(meas)",
"value": 1.062
},
{
"type": "I/SigI",
"value": 1.31
},
{
"type": "CC(1/2)",
"value": 0.576
}
]
},
{
"resolution_limits": [1.63,1.50],
"number_observations": 32771,
"number_observations_unique": 10231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.699
},
{
"type": "I/SigI",
"value": 2.03
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [1.78,1.63],
"number_observations": 34029,
"number_observations_unique": 9584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 3.75
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [1.99,1.78],
"number_observations": 30267,
"number_observations_unique": 8634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.18
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 7.22
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.3,1.99],
"number_observations": 23891,
"number_observations_unique": 7478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 11.31
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.81,2.30],
"number_observations": 23196,
"number_observations_unique": 6510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 18.18
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.97,2.81],
"number_observations": 16977,
"number_observations_unique": 4997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 29.08
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}