Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eeb71d8f4d2311337ebe68867101e565",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.40,
"b": 53.09,
"c": 44.41,
"alpha": 90.00,
"beta": 102.58,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.91,1.52],
"number_observations": 224178,
"number_observations_unique": 39439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.08900000000000001
},
{
"type": "I/SigI",
"value": 12.91
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [1.61,1.52],
"number_observations": 37156,
"number_observations_unique": 6288,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.7730000000000001
},
{
"type": "R(meas)",
"value": 1.944
},
{
"type": "I/SigI",
"value": 0.94
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
},
{
"resolution_limits": [1.72,1.61],
"number_observations": 34476,
"number_observations_unique": 5931,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.133
},
{
"type": "R(meas)",
"value": 1.245
},
{
"type": "I/SigI",
"value": 1.48
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
},
{
"resolution_limits": [1.86,1.72],
"number_observations": 31822,
"number_observations_unique": 5553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.63
},
{
"type": "R(meas)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 2.66
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [2.04,1.86],
"number_observations": 27107,
"number_observations_unique": 5161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.31
},
{
"type": "R(meas)",
"value": 0.34600000000000003
},
{
"type": "I/SigI",
"value": 5.19
},
{
"type": "CC(1/2)",
"value": 0.96
}
]
},
{
"resolution_limits": [2.28,2.04],
"number_observations": 26012,
"number_observations_unique": 4604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.17800000000000002
},
{
"type": "I/SigI",
"value": 10.39
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.63,2.28],
"number_observations": 24509,
"number_observations_unique": 4150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.09699999999999999
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 17.13
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.22,2.63],
"number_observations": 19628,
"number_observations_unique": 3487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059000000000000004
},
{
"type": "I/SigI",
"value": 28.76
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.54,3.22],
"number_observations": 14147,
"number_observations_unique": 2723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026000000000000002
},
{
"type": "R(meas)",
"value": 0.028999999999999998
},
{
"type": "I/SigI",
"value": 50.03
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [47.91,4.54],
"number_observations": 9321,
"number_observations_unique": 1542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026000000000000002
},
{
"type": "I/SigI",
"value": 63.11
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}