Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2602bbcf110e1484c5b002ed2d536ea",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 166.117,
"b": 195.072,
"c": 108.390,
"alpha": 90.00,
"beta": 121.45,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.401,2.300],
"number_observations_unique": 130019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.300],
"number_observations": 71993,
"number_observations_unique": 19002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.570,2.420],
"number_observations": 68316,
"number_observations_unique": 17926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.750,2.570],
"number_observations": 64380,
"number_observations_unique": 16864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.970,2.750],
"number_observations": 59885,
"number_observations_unique": 15706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.250,2.970],
"number_observations": 54498,
"number_observations_unique": 14421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.640,3.250],
"number_observations": 48039,
"number_observations_unique": 13064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.200,3.640],
"number_observations": 41370,
"number_observations_unique": 11536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.140,4.200],
"number_observations": 34275,
"number_observations_unique": 9755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [7.270,5.140],
"number_observations": 27546,
"number_observations_unique": 7567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [46.401,7.270],
"number_observations": 15580,
"number_observations_unique": 4178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}