Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5552265cc1e5187425a4b280424f552",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.996,
"b": 82.229,
"c": 58.420,
"alpha": 90.00,
"beta": 110.37,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations": 116715,
"number_observations_unique": 32176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations_unique": 1587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.924
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 1573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.793
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.765
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 1589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 1599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations_unique": 1621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.710,2.610],
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 1615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 1650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 1653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.760,3.420],
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.310,3.760],
"number_observations_unique": 1659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [5.430,4.310],
"number_observations_unique": 1659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [50.000,5.430],
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}