Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b8d76aeeb693eba05a9d8337b257d45",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.276,
"b": 55.824,
"c": 158.121,
"alpha": 90.00,
"beta": 91.71,
"gamma": 90.00
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.40,2.450],
"number_observations_unique": 32636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.450],
"number_observations_unique": 1030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 59.000
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [2.540,2.490],
"number_observations_unique": 1166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 67.400
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [2.590,2.540],
"number_observations_unique": 1351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 76.500
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 84.700
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.760,2.700],
"number_observations_unique": 1637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.830,2.760],
"number_observations_unique": 1677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.900,2.830],
"number_observations_unique": 1761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.990,2.900],
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.090,2.990],
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.200,3.090],
"number_observations_unique": 1750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.320,3.200],
"number_observations_unique": 1738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.480,3.320],
"number_observations_unique": 1736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.660,3.480],
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.890,3.660],
"number_observations_unique": 1750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.190,3.890],
"number_observations_unique": 1724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.610,4.190],
"number_observations_unique": 1727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [5.280,4.610],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [6.650,5.280],
"number_observations_unique": 1785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [50.000,6.650],
"number_observations_unique": 1781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}