Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fd2290ea17f6ff71eb538ce64a924f2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.812,
"b": 107.334,
"c": 86.998,
"alpha": 90.00,
"beta": 100.61,
"gamma": 90.00
},
"wavelengths": [0.99000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.64],
"number_observations_unique": 33279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.700,2.64],
"number_observations_unique": 1643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.740,2.700],
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.800,2.740],
"number_observations_unique": 1663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 1649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.920,2.850],
"number_observations_unique": 1661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.980,2.920],
"number_observations_unique": 1670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.060,2.980],
"number_observations_unique": 1632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.140,3.060],
"number_observations_unique": 1673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.230,3.140],
"number_observations_unique": 1656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.340,3.230],
"number_observations_unique": 1662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.460,3.340],
"number_observations_unique": 1672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.600,3.460],
"number_observations_unique": 1643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.760,3.600],
"number_observations_unique": 1677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.960,3.760],
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.210,3.960],
"number_observations_unique": 1648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.530,4.210],
"number_observations_unique": 1661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.990,4.530],
"number_observations_unique": 1670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [5.710,4.990],
"number_observations_unique": 1685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [7.190,5.710],
"number_observations_unique": 1677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [50.000,7.190],
"number_observations_unique": 1709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}