Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da49066eace110026a6614052ded78a2",
"space_group_name": "P 32",
"unit_cell": {
"a": 44.868,
"b": 44.868,
"c": 140.136,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 19874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations_unique": 1997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.370,2.250],
"number_observations_unique": 1964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations_unique": 1987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.710,2.520],
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.990,2.710],
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.420,2.990],
"number_observations_unique": 1984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.310,3.420],
"number_observations_unique": 1975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [50.000,4.310],
"number_observations_unique": 2103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
}
]
}