Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d3f8c2f7ddb729822378a6d902dd7c1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.469,
"b": 112.845,
"c": 136.294,
"alpha": 90.00,
"beta": 95.91,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [135.570,2.000],
"number_observations_unique": 90352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 51688,
"number_observations_unique": 11890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 55008,
"number_observations_unique": 11850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 58496,
"number_observations_unique": 11581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 61798,
"number_observations_unique": 11138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 64091,
"number_observations_unique": 10385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 63480,
"number_observations_unique": 9485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 59291,
"number_observations_unique": 8372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 50936,
"number_observations_unique": 7076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [6.320,4.470],
"number_observations": 40549,
"number_observations_unique": 5509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [135.570,6.320],
"number_observations": 21857,
"number_observations_unique": 3066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
}
]
}
]
}