Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b01b2fa11ad0ce2169e5376804703b1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.177,
"b": 69.952,
"c": 78.537,
"alpha": 90.00,
"beta": 98.02,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.850,2.200],
"number_observations": 135314,
"number_observations_unique": 36631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.893
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.32,2.20],
"number_observations": 18948,
"number_observations_unique": 5217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 95.30
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.46,2.32],
"number_observations": 18455,
"number_observations_unique": 4994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 95.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.63,2.46],
"number_observations": 17487,
"number_observations_unique": 4692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 96.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.84,2.63],
"number_observations": 16394,
"number_observations_unique": 4398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.11,2.84],
"number_observations": 15234,
"number_observations_unique": 4092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 6.1
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.48,3.11],
"number_observations": 13839,
"number_observations_unique": 3716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.02,3.48],
"number_observations": 12257,
"number_observations_unique": 3293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.92,4.02],
"number_observations": 10392,
"number_observations_unique": 2813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 24.0
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [6.96,4.92],
"number_observations": 8036,
"number_observations_unique": 2198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 21.0
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [34.99,6.96],
"number_observations": 4272,
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}