Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "784f941a6465652cc84069aeceac8423",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 53.42,
"b": 151.31,
"c": 43.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [75.655,2.300],
"number_observations_unique": 15894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 6133,
"number_observations_unique": 2027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.537
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.570,2.420],
"number_observations": 8467,
"number_observations_unique": 2161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.750,2.570],
"number_observations": 9277,
"number_observations_unique": 2088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.970,2.750],
"number_observations": 8546,
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.250,2.970],
"number_observations": 7803,
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.640,3.250],
"number_observations": 7108,
"number_observations_unique": 1624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [4.200,3.640],
"number_observations": 6325,
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [5.140,4.200],
"number_observations": 5520,
"number_observations_unique": 1248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [7.270,5.140],
"number_observations": 4431,
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [37.423,7.270],
"number_observations": 2328,
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}