Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "848df43eed4afdc1f7fc2a92f52fbedc",
"space_group_name": "P 1",
"unit_cell": {
"a": 45.51,
"b": 88.87,
"c": 129.27,
"alpha": 102.91,
"beta": 95.92,
"gamma": 90.09
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.753,2.990],
"number_observations_unique": 39174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.070,2.990],
"number_observations": 5907,
"number_observations_unique": 2918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.424
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.150,3.070],
"number_observations": 5655,
"number_observations_unique": 2750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [3.240,3.150],
"number_observations": 5521,
"number_observations_unique": 2794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "R(pim)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.340,3.240],
"number_observations": 4980,
"number_observations_unique": 2647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [3.450,3.340],
"number_observations": 4986,
"number_observations_unique": 2585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [3.570,3.450],
"number_observations": 5113,
"number_observations_unique": 2504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.710,3.570],
"number_observations": 4972,
"number_observations_unique": 2437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.860,3.710],
"number_observations": 4649,
"number_observations_unique": 2283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [4.030,3.860],
"number_observations": 4436,
"number_observations_unique": 2246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [4.230,4.030],
"number_observations": 3910,
"number_observations_unique": 2117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [4.460,4.230],
"number_observations": 4118,
"number_observations_unique": 2039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [4.730,4.460],
"number_observations": 3886,
"number_observations_unique": 1916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [5.050,4.730],
"number_observations": 3533,
"number_observations_unique": 1824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [5.460,5.050],
"number_observations": 3220,
"number_observations_unique": 1669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [5.980,5.460],
"number_observations": 3202,
"number_observations_unique": 1545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [6.690,5.980],
"number_observations": 2799,
"number_observations_unique": 1402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [7.720,6.690],
"number_observations": 2260,
"number_observations_unique": 1223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [9.460,7.720],
"number_observations": 2164,
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [13.370,9.460],
"number_observations": 1589,
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [64.753,13.370],
"number_observations": 891,
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.100
}
]
}
]
}