Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b093f8c1d920346ce30917325da1b13",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 119.90,
"b": 119.90,
"c": 104.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.410,1.350],
"number_observations_unique": 82643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.35],
"number_observations": 55749,
"number_observations_unique": 11601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 4.80
}
]
},
{
"resolution_limits": [1.51,1.42],
"number_observations": 73335,
"number_observations_unique": 11358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [1.61,1.51],
"number_observations": 69392,
"number_observations_unique": 10697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [1.74,1.61],
"number_observations": 65138,
"number_observations_unique": 9984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 4.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [1.91,1.74],
"number_observations": 60374,
"number_observations_unique": 9218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [2.13,1.91],
"number_observations": 54655,
"number_observations_unique": 8340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [2.46,2.13],
"number_observations": 48652,
"number_observations_unique": 7403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [3.02,2.46],
"number_observations": 41529,
"number_observations_unique": 6315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [4.27,3.02],
"number_observations": 32107,
"number_observations_unique": 4928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.50
}
]
},
{
"resolution_limits": [39.41,4.27],
"number_observations": 17266,
"number_observations_unique": 2799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 22.1
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 6.20
}
]
}
]
}